1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethenyl)indolizine-7-carboxamide

C31H36N6O4 — CID 139475563

IUPAC1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethenyl)indolizine-7-carboxamide
SMILESC=C(c1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)cc2c(-c3ccnc(N(C)C)c3)ccn12)N1CCOCC1
InChIInChI=1S/C31H36N6O4/c1-19-15-27(40-6)25(31(39)34-19)18-33-30(38)24-17-26-23(22-7-9-32-28(16-22)35(4)5)8-10-37(26)29(20(24)2)21(3)36-11-13-41-14-12-36/h7-10,15-17H,3,11-14,18H2,1-2,4-6H3,(H,33,38)(H,34,39)
InChIKeyGZNIVRZVCVETGS-UHFFFAOYSA-N
MW556.67 g/mol
LogP3.61
Rot. Bonds8

About 1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethenyl)indolizine-7-carboxamide

1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethenyl)indolizine-7-carboxamide (PubChem CID 139475563) has the molecular formula C31H36N6O4 and a molecular weight of 556.67 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethenyl)indolizine-7-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethenyl)indolizine-7-carboxamide
PubChem CID139475563
Molecular FormulaC31H36N6O4
Molecular Weight556.67 g/mol
Exact Mass556.28
IUPAC Name1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethenyl)indolizine-7-carboxamide
SMILESC=C(c1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)cc2c(-c3ccnc(N(C)C)c3)ccn12)N1CCOCC1
InChIInChI=1S/C31H36N6O4/c1-19-15-27(40-6)25(31(39)34-19)18-33-30(38)24-17-26-23(22-7-9-32-28(16-22)35(4)5)8-10-37(26)29(20(24)2)21(3)36-11-13-41-14-12-36/h7-10,15-17H,3,11-14,18H2,1-2,4-6H3,(H,33,38)(H,34,39)
InChIKeyGZNIVRZVCVETGS-UHFFFAOYSA-N
XLogP3.61
TPSA104.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.67
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethenyl)indolizine-7-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethenyl)indolizine-7-carboxamide (CID 139475563) is 1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethenyl)indolizine-7-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethenyl)indolizine-7-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethenyl)indolizine-7-carboxamide is C=C(c1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)cc2c(-c3ccnc(N(C)C)c3)ccn12)N1CCOCC1.
What is the InChIKey of 1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethenyl)indolizine-7-carboxamide?
The InChIKey is GZNIVRZVCVETGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6O4/c1-19-15-27(40-6)25(31(39)34-19)18-33-30(38)24-17-26-23(22-7-9-32-28(16-22)35(4)5)8-10-37(26)29(20(24)2)21(3)36-11-13-41-14-12-36/h7-10,15-17H,3,11-14,18H2,1-2,4-6H3,(H,33,38)(H,34,39).
What are the key properties of 1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethenyl)indolizine-7-carboxamide?
1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethenyl)indolizine-7-carboxamide has a molecular weight of 556.67 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethenyl)indolizine-7-carboxamide is sourced from PubChem (CID 139475563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).