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

C20H30N4O2 — CID 50842589

IUPAC1-[5-(butanoylamino)-2-pyridinyl]-N-cyclopentylpiperidine-4-carboxamide
SMILESCCCC(=O)Nc1ccc(N2CCC(C(=O)NC3CCCC3)CC2)nc1
InChIInChI=1S/C20H30N4O2/c1-2-5-19(25)22-17-8-9-18(21-14-17)24-12-10-15(11-13-24)20(26)23-16-6-3-4-7-16/h8-9,14-16H,2-7,10-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyFCVCNEUFQAKCNJ-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.10
Rot. Bonds6

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

1-[5-(butanoylamino)-2-pyridinyl]-N-cyclopentylpiperidine-4-carboxamide (PubChem CID 50842589) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-[5-(butanoylamino)-2-pyridinyl]-N-cyclopentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(butanoylamino)-2-pyridinyl]-N-cyclopentylpiperidine-4-carboxamide
PubChem CID50842589
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1-[5-(butanoylamino)-2-pyridinyl]-N-cyclopentylpiperidine-4-carboxamide
SMILESCCCC(=O)Nc1ccc(N2CCC(C(=O)NC3CCCC3)CC2)nc1
InChIInChI=1S/C20H30N4O2/c1-2-5-19(25)22-17-8-9-18(21-14-17)24-12-10-15(11-13-24)20(26)23-16-6-3-4-7-16/h8-9,14-16H,2-7,10-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyFCVCNEUFQAKCNJ-UHFFFAOYSA-N
XLogP3.10
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]piperidine-4-carboxamide
CID 50842318
1-[5-(butanoylamino)-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 50842295
N-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 11623843
3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 16622915
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 52549781
N-cyclopentyl-1-[5-(cyclopropanecarbonylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 50842519
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide
CID 155391840
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide
CID 155391842
N-[6-(cyclopentylamino)-3-pyridinyl]butanamide
CID 113009849
3-amino-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]propanamide
CID 39181563
N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 1452761

Frequently Asked Questions

What is the IUPAC name of 1-[5-(butanoylamino)-2-pyridinyl]-N-cyclopentylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-(butanoylamino)-2-pyridinyl]-N-cyclopentylpiperidine-4-carboxamide (CID 50842589) is 1-[5-(butanoylamino)-2-pyridinyl]-N-cyclopentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(butanoylamino)-2-pyridinyl]-N-cyclopentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-(butanoylamino)-2-pyridinyl]-N-cyclopentylpiperidine-4-carboxamide is CCCC(=O)Nc1ccc(N2CCC(C(=O)NC3CCCC3)CC2)nc1.
What is the InChIKey of 1-[5-(butanoylamino)-2-pyridinyl]-N-cyclopentylpiperidine-4-carboxamide?
The InChIKey is FCVCNEUFQAKCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-2-5-19(25)22-17-8-9-18(21-14-17)24-12-10-15(11-13-24)20(26)23-16-6-3-4-7-16/h8-9,14-16H,2-7,10-13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 1-[5-(butanoylamino)-2-pyridinyl]-N-cyclopentylpiperidine-4-carboxamide?
1-[5-(butanoylamino)-2-pyridinyl]-N-cyclopentylpiperidine-4-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 3.10, 6 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-cyclopentylpiperidine-4-carboxamide is sourced from PubChem (CID 50842589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).