3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one;1-(6-amino-3-pyridinyl)-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride

C62H81ClN14O5 — CID 157335958

About 3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one;1-(6-amino-3-pyridinyl)-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride

3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one;1-(6-amino-3-pyridinyl)-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride (PubChem CID 157335958) has the molecular formula C62H81ClN14O5 and a molecular weight of 1137.88 g/mol. Its IUPAC name is 3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one;1-(6-amino-3-pyridinyl)-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one;1-(6-amino-3-pyridinyl)-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride
• PubChem CID: 157335958
• Molecular Formula: C62H81ClN14O5
• Molecular Weight: 1137.88 g/mol
• Exact Mass: 1136.62
• IUPAC Name: 3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one;1-(6-amino-3-pyridinyl)-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride
• SMILES: CCN1CCN(C(C)c2c(C)c(C(=O)NCc3c(C)[nH]c(C)cc3=O)cc3c(-c4ccc(N)nc4)ccn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)O)cc3c(-c4ccc(N)nc4)ccn23)CC1.Cc1cc(=O)c(CN)c(C)[nH]1.Cl
• InChI: InChI=1S/C31H39N7O2.C23H29N5O2.C8H12N2O.ClH/c1-6-36-11-13-37(14-12-36)22(5)30-20(3)25(31(40)34-18-26-21(4)35-19(2)15-28(26)39)16-27-24(9-10-38(27)30)23-7-8-29(32)33-17-23;1-4-26-9-11-27(12-10-26)16(3)22-15(2)19(23(29)30)13-20-18(7-8-28(20)22)17-5-6-21(24)25-14-17;1-5-3-8(11)7(4-9)6(2)10-5;/h7-10,15-17,22H,6,11-14,18H2,1-5H3,(H2,32,33)(H,34,40)(H,35,39);5-8,13-14,16H,4,9-12H2,1-3H3,(H2,24,25)(H,29,30);3H,4,9H2,1-2H3,(H,10,11);1H
• InChIKey: ZCSJOZHRTFNCQB-UHFFFAOYSA-N
• XLogP: 7.99
• TPSA: 257.74 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1137.88
LogP ≤ 5	7.99
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one;1-(6-amino-3-pyridinyl)-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride?

The IUPAC name of 3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one;1-(6-amino-3-pyridinyl)-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride (CID 157335958) is 3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one;1-(6-amino-3-pyridinyl)-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride.

What is the SMILES notation for 3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one;1-(6-amino-3-pyridinyl)-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride?

The canonical SMILES for 3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one;1-(6-amino-3-pyridinyl)-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride is CCN1CCN(C(C)c2c(C)c(C(=O)NCc3c(C)[nH]c(C)cc3=O)cc3c(-c4ccc(N)nc4)ccn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)O)cc3c(-c4ccc(N)nc4)ccn23)CC1.Cc1cc(=O)c(CN)c(C)[nH]1.Cl.

What is the InChIKey of 3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one;1-(6-amino-3-pyridinyl)-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride?

The InChIKey is ZCSJOZHRTFNCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N7O2.C23H29N5O2.C8H12N2O.ClH/c1-6-36-11-13-37(14-12-36)22(5)30-20(3)25(31(40)34-18-26-21(4)35-19(2)15-28(26)39)16-27-24(9-10-38(27)30)23-7-8-29(32)33-17-23;1-4-26-9-11-27(12-10-26)16(3)22-15(2)19(23(29)30)13-20-18(7-8-28(20)22)17-5-6-21(24)25-14-17;1-5-3-8(11)7(4-9)6(2)10-5;/h7-10,15-17,22H,6,11-14,18H2,1-5H3,(H2,32,33)(H,34,40)(H,35,39);5-8,13-14,16H,4,9-12H2,1-3H3,(H2,24,25)(H,29,30);3H,4,9H2,1-2H3,(H,10,11);1H.

What are the key properties of 3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one;1-(6-amino-3-pyridinyl)-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride?

3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one;1-(6-amino-3-pyridinyl)-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride has a molecular weight of 1137.88 g/mol, XLogP of 7.99, 13 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one;1-(6-amino-3-pyridinyl)-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride is sourced from PubChem (CID 157335958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).