1-[3-(carbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide

C16H23N5O3 — CID 51107046

IUPAC1-[3-(carbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(CCC(=O)NC(N)=O)CC2)n1
InChIInChI=1S/C16H23N5O3/c1-11-3-2-4-13(18-11)19-15(23)12-5-8-21(9-6-12)10-7-14(22)20-16(17)24/h2-4,12H,5-10H2,1H3,(H,18,19,23)(H3,17,20,22,24)
InChIKeyGIGGCTXXMGBUKU-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.63
Rot. Bonds5

About 1-[3-(carbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[3-(carbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 51107046) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[3-(carbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(carbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID51107046
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name1-[3-(carbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(CCC(=O)NC(N)=O)CC2)n1
InChIInChI=1S/C16H23N5O3/c1-11-3-2-4-13(18-11)19-15(23)12-5-8-21(9-6-12)10-7-14(22)20-16(17)24/h2-4,12H,5-10H2,1H3,(H,18,19,23)(H3,17,20,22,24)
InChIKeyGIGGCTXXMGBUKU-UHFFFAOYSA-N
XLogP0.63
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[3-(methylcarbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94821180
N-(6-methyl-2-pyridinyl)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
CID 47056927
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 22690147
N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-4-carboxamide
CID 94821290
N'-(6-methyl-2-pyridinyl)butanediamide
CID 91273300
(3R)-1-[(2R)-1-amino-1-oxopropan-2-yl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 124818575
cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 95401115
2-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 54895410
1-[[(6R,10R)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 51960862
1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 56814486
(3R)-1-(3-ethylsulfanylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94638806

Frequently Asked Questions

What is the IUPAC name of 1-[3-(carbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(carbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 51107046) is 1-[3-(carbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(carbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(carbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(CCC(=O)NC(N)=O)CC2)n1.
What is the InChIKey of 1-[3-(carbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is GIGGCTXXMGBUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-11-3-2-4-13(18-11)19-15(23)12-5-8-21(9-6-12)10-7-14(22)20-16(17)24/h2-4,12H,5-10H2,1H3,(H,18,19,23)(H3,17,20,22,24).
What are the key properties of 1-[3-(carbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[3-(carbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(carbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 51107046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).