(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide

C19H28N4O2 — CID 95312803

IUPAC(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(c2ccc(NC(=O)CCC3CCCC3)cn2)C1
InChIInChI=1S/C19H28N4O2/c20-19(25)15-6-3-11-23(13-15)17-9-8-16(12-21-17)22-18(24)10-7-14-4-1-2-5-14/h8-9,12,14-15H,1-7,10-11,13H2,(H2,20,25)(H,22,24)/t15-/m0/s1
InChIKeyZFNSVOSHURVWPW-HNNXBMFYSA-N
MW344.46 g/mol
LogP2.69
Rot. Bonds6

About (3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide

(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 95312803) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
PubChem CID95312803
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(c2ccc(NC(=O)CCC3CCCC3)cn2)C1
InChIInChI=1S/C19H28N4O2/c20-19(25)15-6-3-11-23(13-15)17-9-8-16(12-21-17)22-18(24)10-7-14-4-1-2-5-14/h8-9,12,14-15H,1-7,10-11,13H2,(H2,20,25)(H,22,24)/t15-/m0/s1
InChIKeyZFNSVOSHURVWPW-HNNXBMFYSA-N
XLogP2.69
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 52549781
1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970200
1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 55970974
1-[5-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700912
1-[5-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700978
1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700759
1-[5-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970199
1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967635
3-(3,3-difluorocyclobutyl)-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 166259419
1-[5-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 87046204
1-[5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970455
1-[5-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701217

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide (CID 95312803) is (3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(c2ccc(NC(=O)CCC3CCCC3)cn2)C1.
What is the InChIKey of (3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is ZFNSVOSHURVWPW-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N4O2/c20-19(25)15-6-3-11-23(13-15)17-9-8-16(12-21-17)22-18(24)10-7-14-4-1-2-5-14/h8-9,12,14-15H,1-7,10-11,13H2,(H2,20,25)(H,22,24)/t15-/m0/s1.
What are the key properties of (3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide?
(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 95312803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).