N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid;methane;hydrochloride

C45H49Cl3N12O3 — CID 157202679

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid;methane;hydrochloride

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid;methane;hydrochloride (PubChem CID 157202679) has the molecular formula C45H49Cl3N12O3 and a molecular weight of 912.33 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid;methane;hydrochloride.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid;methane;hydrochloride
• PubChem CID: 157202679
• Molecular Formula: C45H49Cl3N12O3
• Molecular Weight: 912.33 g/mol
• Exact Mass: 910.31
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid;methane;hydrochloride
• SMILES: C.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cn2cc3cc(Cl)ccc3n2)c1.Cl.O=C(O)c1ccnc(Cn2cc3cc(Cl)ccc3n2)c1
• InChI: InChI=1S/C22H21ClN6O.C14H10ClN3O2.C8H13N3.CH4.ClH/c1-13-7-21(24)27-14(2)19(13)10-26-22(30)15-5-6-25-18(9-15)12-29-11-16-8-17(23)3-4-20(16)28-29;15-11-1-2-13-10(5-11)7-18(17-13)8-12-6-9(14(19)20)3-4-16-12;1-5-3-8(10)11-6(2)7(5)4-9;;/h3-9,11H,10,12H2,1-2H3,(H2,24,27)(H,26,30);1-7H,8H2,(H,19,20);3H,4,9H2,1-2H3,(H2,10,11);1H4;1H
• InChIKey: NUKQXFPRFMWQDX-UHFFFAOYSA-N
• XLogP: 8.29
• TPSA: 231.66 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	912.33
LogP ≤ 5	8.29
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid;methane;hydrochloride?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid;methane;hydrochloride (CID 157202679) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid;methane;hydrochloride.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid;methane;hydrochloride?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid;methane;hydrochloride is C.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cn2cc3cc(Cl)ccc3n2)c1.Cl.O=C(O)c1ccnc(Cn2cc3cc(Cl)ccc3n2)c1.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid;methane;hydrochloride?

The InChIKey is NUKQXFPRFMWQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O.C14H10ClN3O2.C8H13N3.CH4.ClH/c1-13-7-21(24)27-14(2)19(13)10-26-22(30)15-5-6-25-18(9-15)12-29-11-16-8-17(23)3-4-20(16)28-29;15-11-1-2-13-10(5-11)7-18(17-13)8-12-6-9(14(19)20)3-4-16-12;1-5-3-8(10)11-6(2)7(5)4-9;;/h3-9,11H,10,12H2,1-2H3,(H2,24,27)(H,26,30);1-7H,8H2,(H,19,20);3H,4,9H2,1-2H3,(H2,10,11);1H4;1H.

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid;methane;hydrochloride?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid;methane;hydrochloride has a molecular weight of 912.33 g/mol, XLogP of 8.29, 9 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid;methane;hydrochloride is sourced from PubChem (CID 157202679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).