2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide

C24H29ClN4O3 — CID 134340791

IUPAC2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc3cc(Cl)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C24H29ClN4O3/c1-14-9-15(2)27-24(31)21(14)12-26-23(30)20-11-19-10-18(25)13-29(19)22(16(20)3)17(4)28-5-7-32-8-6-28/h9-11,13,17H,5-8,12H2,1-4H3,(H,26,30)(H,27,31)
InChIKeySPDIBRDSBLMCAW-UHFFFAOYSA-N
MW456.97 g/mol
LogP3.53
Rot. Bonds5

About 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide

2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (PubChem CID 134340791) has the molecular formula C24H29ClN4O3 and a molecular weight of 456.97 g/mol. Its IUPAC name is 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
PubChem CID134340791
Molecular FormulaC24H29ClN4O3
Molecular Weight456.97 g/mol
Exact Mass456.19
IUPAC Name2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc3cc(Cl)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C24H29ClN4O3/c1-14-9-15(2)27-24(31)21(14)12-26-23(30)20-11-19-10-18(25)13-29(19)22(16(20)3)17(4)28-5-7-32-8-6-28/h9-11,13,17H,5-8,12H2,1-4H3,(H,26,30)(H,27,31)
InChIKeySPDIBRDSBLMCAW-UHFFFAOYSA-N
XLogP3.53
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-chloro-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
CID 158363022
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
CID 138733684
2-(6-amino-3-pyridinyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
CID 138733420
tert-butyl 4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]piperidine-1-carboxylate
CID 142300541
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide
CID 139311433
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(3,5-dimethylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
CID 138733657
tert-butyl 4-[5-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 139312157
2-(6-amino-3-pyridinyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-pyridin-3-ylindolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-4-ylindolizine-7-carboxamide
CID 161037706
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-piperidin-1-ylbenzamide
CID 90150987
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-2-ylethyl)indolizine-7-carboxamide
CID 138733567
5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90151271
(6Z)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethenyl-6-ethylidene-3-methyl-2-(1-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 142300907

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
The IUPAC name of 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (CID 134340791) is 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide.
What is the SMILES notation for 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
The canonical SMILES for 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide is Cc1cc(C)c(CNC(=O)c2cc3cc(Cl)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.
What is the InChIKey of 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
The InChIKey is SPDIBRDSBLMCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3/c1-14-9-15(2)27-24(31)21(14)12-26-23(30)20-11-19-10-18(25)13-29(19)22(16(20)3)17(4)28-5-7-32-8-6-28/h9-11,13,17H,5-8,12H2,1-4H3,(H,26,30)(H,27,31).
What are the key properties of 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide has a molecular weight of 456.97 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide is sourced from PubChem (CID 134340791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).