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

C31H37N5O3S — CID 156907567

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cc(-c3cc4c(s3)CNCC4)cn2c(C(C)N2CCOCC2)c1C
InChIInChI=1S/C31H37N5O3S/c1-18-11-19(2)34-31(38)26(18)15-33-30(37)25-14-24-12-23(27-13-22-5-6-32-16-28(22)40-27)17-36(24)29(20(25)3)21(4)35-7-9-39-10-8-35/h11-14,17,21,26,32H,5-10,15-16H2,1-4H3,(H,33,37)
InChIKeyUOWPVABAHPFCOW-UHFFFAOYSA-N
MW559.74 g/mol
LogP4.31
Rot. Bonds6

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

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxamide (PubChem CID 156907567) has the molecular formula C31H37N5O3S and a molecular weight of 559.74 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxamide
PubChem CID156907567
Molecular FormulaC31H37N5O3S
Molecular Weight559.74 g/mol
Exact Mass559.26
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cc(-c3cc4c(s3)CNCC4)cn2c(C(C)N2CCOCC2)c1C
InChIInChI=1S/C31H37N5O3S/c1-18-11-19(2)34-31(38)26(18)15-33-30(37)25-14-24-12-23(27-13-22-5-6-32-16-28(22)40-27)17-36(24)29(20(25)3)21(4)35-7-9-39-10-8-35/h11-14,17,21,26,32H,5-10,15-16H2,1-4H3,(H,33,37)
InChIKeyUOWPVABAHPFCOW-UHFFFAOYSA-N
XLogP4.31
TPSA87.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.74
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxamide (CID 156907567) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cc(-c3cc4c(s3)CNCC4)cn2c(C(C)N2CCOCC2)c1C.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxamide?
The InChIKey is UOWPVABAHPFCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N5O3S/c1-18-11-19(2)34-31(38)26(18)15-33-30(37)25-14-24-12-23(27-13-22-5-6-32-16-28(22)40-27)17-36(24)29(20(25)3)21(4)35-7-9-39-10-8-35/h11-14,17,21,26,32H,5-10,15-16H2,1-4H3,(H,33,37).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxamide has a molecular weight of 559.74 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxamide is sourced from PubChem (CID 156907567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).