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

C29H38N4O4 — CID 139311505

IUPAC2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
SMILESCC1=CC(C)C(CNC(=O)c2cc3cc(C4=CCOCC4)cn3c(C(C)N3CCOCC3)c2C)C(=O)N1
InChIInChI=1S/C29H38N4O4/c1-18-13-19(2)31-29(35)26(18)16-30-28(34)25-15-24-14-23(22-5-9-36-10-6-22)17-33(24)27(20(25)3)21(4)32-7-11-37-12-8-32/h5,13-15,17-18,21,26H,6-12,16H2,1-4H3,(H,30,34)(H,31,35)
InChIKeyQBTAKPKSFZWXQN-UHFFFAOYSA-N
MW506.65 g/mol
LogP3.46
Rot. Bonds6

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

2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (PubChem CID 139311505) has the molecular formula C29H38N4O4 and a molecular weight of 506.65 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
PubChem CID139311505
Molecular FormulaC29H38N4O4
Molecular Weight506.65 g/mol
Exact Mass506.29
IUPAC Name2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
SMILESCC1=CC(C)C(CNC(=O)c2cc3cc(C4=CCOCC4)cn3c(C(C)N3CCOCC3)c2C)C(=O)N1
InChIInChI=1S/C29H38N4O4/c1-18-13-19(2)31-29(35)26(18)16-30-28(34)25-15-24-14-23(22-5-9-36-10-6-22)17-33(24)27(20(25)3)21(4)32-7-11-37-12-8-32/h5,13-15,17-18,21,26H,6-12,16H2,1-4H3,(H,30,34)(H,31,35)
InChIKeyQBTAKPKSFZWXQN-UHFFFAOYSA-N
XLogP3.46
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.65
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (CID 139311505) is 2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide is CC1=CC(C)C(CNC(=O)c2cc3cc(C4=CCOCC4)cn3c(C(C)N3CCOCC3)c2C)C(=O)N1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
The InChIKey is QBTAKPKSFZWXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O4/c1-18-13-19(2)31-29(35)26(18)16-30-28(34)25-15-24-14-23(22-5-9-36-10-6-22)17-33(24)27(20(25)3)21(4)32-7-11-37-12-8-32/h5,13-15,17-18,21,26H,6-12,16H2,1-4H3,(H,30,34)(H,31,35).
What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide has a molecular weight of 506.65 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide is sourced from PubChem (CID 139311505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).