N-[3-(4-methylpyrazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide

C19H27N5O — CID 56787765

IUPACN-[3-(4-methylpyrazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
SMILESCc1cnn(CCCNC(=O)C2CCCCN2Cc2cccnc2)c1
InChIInChI=1S/C19H27N5O/c1-16-12-22-24(14-16)11-5-9-21-19(25)18-7-2-3-10-23(18)15-17-6-4-8-20-13-17/h4,6,8,12-14,18H,2-3,5,7,9-11,15H2,1H3,(H,21,25)
InChIKeyYCOVZGKQJWPKOB-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.15
Rot. Bonds7

About N-[3-(4-methylpyrazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide

N-[3-(4-methylpyrazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide (PubChem CID 56787765) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[3-(4-methylpyrazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpyrazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
PubChem CID56787765
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[3-(4-methylpyrazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
SMILESCc1cnn(CCCNC(=O)C2CCCCN2Cc2cccnc2)c1
InChIInChI=1S/C19H27N5O/c1-16-12-22-24(14-16)11-5-9-21-19(25)18-7-2-3-10-23(18)15-17-6-4-8-20-13-17/h4,6,8,12-14,18H,2-3,5,7,9-11,15H2,1H3,(H,21,25)
InChIKeyYCOVZGKQJWPKOB-UHFFFAOYSA-N
XLogP2.15
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(4-methylpyrazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898
Cholesterol 24-hydroxylase-IN-1
CID 118450616
N-[2-(Methylamino)-2-Oxidanylidene-Ethyl]-2-(4-Pyrazol-1-Ylphenyl)-N-(1-Pyridin-2-Ylpiperidin-4-Yl)ethanamide
CID 122391195
(Phenylalaninyl-prolinyl)-(2-(pyridin-4-ylamino)-ethyl)-amine
CID 23586040
N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 42606575
(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(6-pyridin-3-yl-3-pyridinyl)propanamide
CID 117671078
1-(4-(4-cyclopropyl-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450464
N,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]piperidine-4-carboxamide
CID 118450657
N,N-dimethyl-1-(4-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 118450716
(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-phenylprop-2-enamide
CID 125487493
US10889564, Example 25
CID 129104686

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpyrazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of N-[3-(4-methylpyrazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide (CID 56787765) is N-[3-(4-methylpyrazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[3-(4-methylpyrazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for N-[3-(4-methylpyrazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide is Cc1cnn(CCCNC(=O)C2CCCCN2Cc2cccnc2)c1.
What is the InChIKey of N-[3-(4-methylpyrazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide?
The InChIKey is YCOVZGKQJWPKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-16-12-22-24(14-16)11-5-9-21-19(25)18-7-2-3-10-23(18)15-17-6-4-8-20-13-17/h4,6,8,12-14,18H,2-3,5,7,9-11,15H2,1H3,(H,21,25).
What are the key properties of N-[3-(4-methylpyrazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide?
N-[3-(4-methylpyrazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpyrazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 56787765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).