N-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

C27H28N6O3 — CID 11848963

IUPACN-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)cn(CC2CC2)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C27H28N6O3/c34-25-22(15-20(19-5-2-1-3-6-19)17-32(25)16-18-8-9-18)29-26(35)31-13-10-21(11-14-31)33-23-7-4-12-28-24(23)30-27(33)36/h1-7,12,15,17-18,21H,8-11,13-14,16H2,(H,29,35)(H,28,30,36)
InChIKeySRRARWAZSWSFNR-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.83
Rot. Bonds5

About N-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

N-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (PubChem CID 11848963) has the molecular formula C27H28N6O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
PubChem CID11848963
Molecular FormulaC27H28N6O3
Molecular Weight484.56 g/mol
Exact Mass484.22
IUPAC NameN-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)cn(CC2CC2)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C27H28N6O3/c34-25-22(15-20(19-5-2-1-3-6-19)17-32(25)16-18-8-9-18)29-26(35)31-13-10-21(11-14-31)33-23-7-4-12-28-24(23)30-27(33)36/h1-7,12,15,17-18,21H,8-11,13-14,16H2,(H,29,35)(H,28,30,36)
InChIKeySRRARWAZSWSFNR-UHFFFAOYSA-N
XLogP3.83
TPSA105.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (CID 11848963) is N-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is O=C(Nc1cc(-c2ccccc2)cn(CC2CC2)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.
What is the InChIKey of N-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The InChIKey is SRRARWAZSWSFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3/c34-25-22(15-20(19-5-2-1-3-6-19)17-32(25)16-18-8-9-18)29-26(35)31-13-10-21(11-14-31)33-23-7-4-12-28-24(23)30-27(33)36/h1-7,12,15,17-18,21H,8-11,13-14,16H2,(H,29,35)(H,28,30,36).
What are the key properties of N-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
N-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11848963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).