1-(cyclopropanecarbonyl)-N-[3-(pyridin-3-ylamino)propyl]piperidine-2-carboxamide

C18H26N4O2 — CID 118775464

IUPAC1-(cyclopropanecarbonyl)-N-[3-(pyridin-3-ylamino)propyl]piperidine-2-carboxamide
SMILESO=C(NCCCNc1cccnc1)C1CCCCN1C(=O)C1CC1
InChIInChI=1S/C18H26N4O2/c23-17(21-11-4-10-20-15-5-3-9-19-13-15)16-6-1-2-12-22(16)18(24)14-7-8-14/h3,5,9,13-14,16,20H,1-2,4,6-8,10-12H2,(H,21,23)
InChIKeyVDWMTCQMERFXBG-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.79
Rot. Bonds7

About 1-(cyclopropanecarbonyl)-N-[3-(pyridin-3-ylamino)propyl]piperidine-2-carboxamide

1-(cyclopropanecarbonyl)-N-[3-(pyridin-3-ylamino)propyl]piperidine-2-carboxamide (PubChem CID 118775464) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[3-(pyridin-3-ylamino)propyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[3-(pyridin-3-ylamino)propyl]piperidine-2-carboxamide
PubChem CID118775464
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-(cyclopropanecarbonyl)-N-[3-(pyridin-3-ylamino)propyl]piperidine-2-carboxamide
SMILESO=C(NCCCNc1cccnc1)C1CCCCN1C(=O)C1CC1
InChIInChI=1S/C18H26N4O2/c23-17(21-11-4-10-20-15-5-3-9-19-13-15)16-6-1-2-12-22(16)18(24)14-7-8-14/h3,5,9,13-14,16,20H,1-2,4,6-8,10-12H2,(H,21,23)
InChIKeyVDWMTCQMERFXBG-UHFFFAOYSA-N
XLogP1.79
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[3-(pyridin-3-ylamino)propyl]azepane-2-carboxamide
CID 72889342
1-(3,3-dimethyl-2-oxopentanoyl)-N-(4-pyridin-3-ylbutyl)piperidine-2-carboxamide
CID 59107691
(2S)-1-N-phenyl-2-N-(pyridin-3-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 95347813
(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51089557
1-propanoyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-2-carboxamide
CID 47891608
N-[3-(cyclopentanecarbonylamino)propyl]pyridine-3-carboxamide
CID 108926695
1-(cyclopropanecarbonyl)-N-[3-(2-hydroxyethoxy)propyl]pyrrolidine-2-carboxamide
CID 106305764
1-(cyclohexanecarbonyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 154774733
1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[3-(pyridin-3-ylamino)propyl]urea
CID 72843536
N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropanecarboxamide
CID 122289299
1-fluoro-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 140521967
1-[2-(butylamino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 42813442

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[3-(pyridin-3-ylamino)propyl]piperidine-2-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[3-(pyridin-3-ylamino)propyl]piperidine-2-carboxamide (CID 118775464) is 1-(cyclopropanecarbonyl)-N-[3-(pyridin-3-ylamino)propyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[3-(pyridin-3-ylamino)propyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[3-(pyridin-3-ylamino)propyl]piperidine-2-carboxamide is O=C(NCCCNc1cccnc1)C1CCCCN1C(=O)C1CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[3-(pyridin-3-ylamino)propyl]piperidine-2-carboxamide?
The InChIKey is VDWMTCQMERFXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-17(21-11-4-10-20-15-5-3-9-19-13-15)16-6-1-2-12-22(16)18(24)14-7-8-14/h3,5,9,13-14,16,20H,1-2,4,6-8,10-12H2,(H,21,23).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[3-(pyridin-3-ylamino)propyl]piperidine-2-carboxamide?
1-(cyclopropanecarbonyl)-N-[3-(pyridin-3-ylamino)propyl]piperidine-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[3-(pyridin-3-ylamino)propyl]piperidine-2-carboxamide is sourced from PubChem (CID 118775464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).