N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-4-ylindolizine-7-carboxamide

C29H37N5O3 — CID 156907490

IUPACN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-4-ylindolizine-7-carboxamide
SMILESCc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cc(-c3ccncc3)cn2c1C(C)N1CCOCC1
InChIInChI=1S/C29H37N5O3/c1-18-13-19(2)32-29(36)26(18)16-31-28(35)25-15-24-14-23(22-5-7-30-8-6-22)17-34(24)27(20(25)3)21(4)33-9-11-37-12-10-33/h5-8,14-15,17-19,21,26H,9-13,16H2,1-4H3,(H,31,35)(H,32,36)
InChIKeyNKLAOJRJCQBUMT-UHFFFAOYSA-N
MW503.65 g/mol
LogP3.59
Rot. Bonds6

About N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-4-ylindolizine-7-carboxamide

N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-4-ylindolizine-7-carboxamide (PubChem CID 156907490) has the molecular formula C29H37N5O3 and a molecular weight of 503.65 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-4-ylindolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-4-ylindolizine-7-carboxamide
PubChem CID156907490
Molecular FormulaC29H37N5O3
Molecular Weight503.65 g/mol
Exact Mass503.29
IUPAC NameN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-4-ylindolizine-7-carboxamide
SMILESCc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cc(-c3ccncc3)cn2c1C(C)N1CCOCC1
InChIInChI=1S/C29H37N5O3/c1-18-13-19(2)32-29(36)26(18)16-31-28(35)25-15-24-14-23(22-5-7-30-8-6-22)17-34(24)27(20(25)3)21(4)33-9-11-37-12-10-33/h5-8,14-15,17-19,21,26H,9-13,16H2,1-4H3,(H,31,35)(H,32,36)
InChIKeyNKLAOJRJCQBUMT-UHFFFAOYSA-N
XLogP3.59
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.65
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-4-ylindolizine-7-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-4-ylindolizine-7-carboxamide (CID 156907490) is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-4-ylindolizine-7-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-4-ylindolizine-7-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-4-ylindolizine-7-carboxamide is Cc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cc(-c3ccncc3)cn2c1C(C)N1CCOCC1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-4-ylindolizine-7-carboxamide?
The InChIKey is NKLAOJRJCQBUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O3/c1-18-13-19(2)32-29(36)26(18)16-31-28(35)25-15-24-14-23(22-5-7-30-8-6-22)17-34(24)27(20(25)3)21(4)33-9-11-37-12-10-33/h5-8,14-15,17-19,21,26H,9-13,16H2,1-4H3,(H,31,35)(H,32,36).
What are the key properties of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-4-ylindolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-4-ylindolizine-7-carboxamide has a molecular weight of 503.65 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-4-ylindolizine-7-carboxamide is sourced from PubChem (CID 156907490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).