N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrrol-3-yl)indolizine-7-carboxamide

C30H37N5O3 — CID 156907520

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrrol-3-yl)indolizine-7-carboxamide
SMILESCCN(c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2C)cc2cc(-c3ccn(C)c3)cn12)C1CCOCC1
InChIInChI=1S/C30H37N5O3/c1-6-34(24-8-11-38-12-9-24)30-21(4)26(28(36)31-16-27-19(2)13-20(3)32-29(27)37)15-25-14-23(18-35(25)30)22-7-10-33(5)17-22/h7,10,13-15,17-18,24,27H,6,8-9,11-12,16H2,1-5H3,(H,31,36)
InChIKeyJLWJEVWGWDHHBL-UHFFFAOYSA-N
MW515.66 g/mol
LogP4.55
Rot. Bonds7

About N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrrol-3-yl)indolizine-7-carboxamide

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrrol-3-yl)indolizine-7-carboxamide (PubChem CID 156907520) has the molecular formula C30H37N5O3 and a molecular weight of 515.66 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrrol-3-yl)indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrrol-3-yl)indolizine-7-carboxamide
PubChem CID156907520
Molecular FormulaC30H37N5O3
Molecular Weight515.66 g/mol
Exact Mass515.29
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrrol-3-yl)indolizine-7-carboxamide
SMILESCCN(c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2C)cc2cc(-c3ccn(C)c3)cn12)C1CCOCC1
InChIInChI=1S/C30H37N5O3/c1-6-34(24-8-11-38-12-9-24)30-21(4)26(28(36)31-16-27-19(2)13-20(3)32-29(27)37)15-25-14-23(18-35(25)30)22-7-10-33(5)17-22/h7,10,13-15,17-18,24,27H,6,8-9,11-12,16H2,1-5H3,(H,31,36)
InChIKeyJLWJEVWGWDHHBL-UHFFFAOYSA-N
XLogP4.55
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.66
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrrol-3-yl)indolizine-7-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrrol-3-yl)indolizine-7-carboxamide (CID 156907520) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrrol-3-yl)indolizine-7-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrrol-3-yl)indolizine-7-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrrol-3-yl)indolizine-7-carboxamide is CCN(c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2C)cc2cc(-c3ccn(C)c3)cn12)C1CCOCC1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrrol-3-yl)indolizine-7-carboxamide?
The InChIKey is JLWJEVWGWDHHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O3/c1-6-34(24-8-11-38-12-9-24)30-21(4)26(28(36)31-16-27-19(2)13-20(3)32-29(27)37)15-25-14-23(18-35(25)30)22-7-10-33(5)17-22/h7,10,13-15,17-18,24,27H,6,8-9,11-12,16H2,1-5H3,(H,31,36).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrrol-3-yl)indolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrrol-3-yl)indolizine-7-carboxamide has a molecular weight of 515.66 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrrol-3-yl)indolizine-7-carboxamide is sourced from PubChem (CID 156907520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).