1-[5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide

C23H29N5O3 — CID 55970455

IUPAC1-[5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(N2CCCC(C(N)=O)C2)nc1)c1ccc(C)cc1
InChIInChI=1S/C23H29N5O3/c1-15-5-7-17(8-6-15)20(26-16(2)29)12-22(30)27-19-9-10-21(25-13-19)28-11-3-4-18(14-28)23(24)31/h5-10,13,18,20H,3-4,11-12,14H2,1-2H3,(H2,24,31)(H,26,29)(H,27,30)
InChIKeyDPQAOXKDIIVUIC-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.30
Rot. Bonds7

About 1-[5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55970455) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 1-[5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55970455
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name1-[5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(N2CCCC(C(N)=O)C2)nc1)c1ccc(C)cc1
InChIInChI=1S/C23H29N5O3/c1-15-5-7-17(8-6-15)20(26-16(2)29)12-22(30)27-19-9-10-21(25-13-19)28-11-3-4-18(14-28)23(24)31/h5-10,13,18,20H,3-4,11-12,14H2,1-2H3,(H2,24,31)(H,26,29)(H,27,30)
InChIKeyDPQAOXKDIIVUIC-UHFFFAOYSA-N
XLogP2.30
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803
1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86962982
1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 86967490
2-amino-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 82034957
ethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55970967
1-[5-[[2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700721
1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700725
1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700759
1-[5-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967766
3-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 60836509
1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970200

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide (CID 55970455) is 1-[5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide is CC(=O)NC(CC(=O)Nc1ccc(N2CCCC(C(N)=O)C2)nc1)c1ccc(C)cc1.
What is the InChIKey of 1-[5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is DPQAOXKDIIVUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-15-5-7-17(8-6-15)20(26-16(2)29)12-22(30)27-19-9-10-21(25-13-19)28-11-3-4-18(14-28)23(24)31/h5-10,13,18,20H,3-4,11-12,14H2,1-2H3,(H2,24,31)(H,26,29)(H,27,30).
What are the key properties of 1-[5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55970455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).