1-[5-(butanoylamino)-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide

C19H30N4O2 — CID 50842295

IUPAC1-[5-(butanoylamino)-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCCCC(=O)Nc1ccc(N2CCC(C(=O)NCC(C)C)CC2)nc1
InChIInChI=1S/C19H30N4O2/c1-4-5-18(24)22-16-6-7-17(20-13-16)23-10-8-15(9-11-23)19(25)21-12-14(2)3/h6-7,13-15H,4-5,8-12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyIXZVFWKHSYVPCZ-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.81
Rot. Bonds7

About 1-[5-(butanoylamino)-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide

1-[5-(butanoylamino)-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 50842295) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-[5-(butanoylamino)-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(butanoylamino)-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID50842295
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-[5-(butanoylamino)-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCCCC(=O)Nc1ccc(N2CCC(C(=O)NCC(C)C)CC2)nc1
InChIInChI=1S/C19H30N4O2/c1-4-5-18(24)22-16-6-7-17(20-13-16)23-10-8-15(9-11-23)19(25)21-12-14(2)3/h6-7,13-15H,4-5,8-12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyIXZVFWKHSYVPCZ-UHFFFAOYSA-N
XLogP2.81
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(butanoylamino)-2-pyridinyl]-N-cyclopentylpiperidine-4-carboxamide
CID 50842589
N-cyclohexyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]piperidine-4-carboxamide
CID 50842318
N-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 11623843
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
3-amino-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]propanamide
CID 39181563
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)pentanamide;dihydrochloride
CID 120564420
N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 42849978
3-acetamido-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47140496
N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601280
N-butan-2-yl-1-[5-[(3,4-dimethylphenyl)carbamoylamino]-2-pyridinyl]piperidine-4-carboxamide
CID 50842392
3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 52549781
2-amino-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 39181827

Frequently Asked Questions

What is the IUPAC name of 1-[5-(butanoylamino)-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-(butanoylamino)-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide (CID 50842295) is 1-[5-(butanoylamino)-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(butanoylamino)-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(butanoylamino)-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide is CCCC(=O)Nc1ccc(N2CCC(C(=O)NCC(C)C)CC2)nc1.
What is the InChIKey of 1-[5-(butanoylamino)-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is IXZVFWKHSYVPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-5-18(24)22-16-6-7-17(20-13-16)23-10-8-15(9-11-23)19(25)21-12-14(2)3/h6-7,13-15H,4-5,8-12H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 1-[5-(butanoylamino)-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
1-[5-(butanoylamino)-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(butanoylamino)-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 50842295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).