N-cyclopropyl-N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

C20H28N4O2 — CID 55712917

IUPACN-cyclopropyl-N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(N1CCCC1)N1CCC(C(=O)N(Cc2cccnc2)C2CC2)CC1
InChIInChI=1S/C20H28N4O2/c25-19(24(18-5-6-18)15-16-4-3-9-21-14-16)17-7-12-23(13-8-17)20(26)22-10-1-2-11-22/h3-4,9,14,17-18H,1-2,5-8,10-13,15H2
InChIKeyNSYXOOKERNVLKO-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.50
Rot. Bonds4

About N-cyclopropyl-N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

N-cyclopropyl-N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 55712917) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-cyclopropyl-N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
PubChem CID55712917
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-cyclopropyl-N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(N1CCCC1)N1CCC(C(=O)N(Cc2cccnc2)C2CC2)CC1
InChIInChI=1S/C20H28N4O2/c25-19(24(18-5-6-18)15-16-4-3-9-21-14-16)17-7-12-23(13-8-17)20(26)22-10-1-2-11-22/h3-4,9,14,17-18H,1-2,5-8,10-13,15H2
InChIKeyNSYXOOKERNVLKO-UHFFFAOYSA-N
XLogP2.50
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 81129166
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
N-cyclopropyl-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 75133203
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 39947147
(3S)-N-cyclopropyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 35753696
N-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55633091
1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 33324992
2-anilino-N-cyclopropyl-N-(pyridin-3-ylmethyl)acetamide
CID 60937842
cyclohexyl-[4-[oxan-4-yl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methanone
CID 91916226
1-(3-bromophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 42953091
2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate
CID 79346079
4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
CID 54869888

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (CID 55712917) is N-cyclopropyl-N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is O=C(N1CCCC1)N1CCC(C(=O)N(Cc2cccnc2)C2CC2)CC1.
What is the InChIKey of N-cyclopropyl-N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is NSYXOOKERNVLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c25-19(24(18-5-6-18)15-16-4-3-9-21-14-16)17-7-12-23(13-8-17)20(26)22-10-1-2-11-22/h3-4,9,14,17-18H,1-2,5-8,10-13,15H2.
What are the key properties of N-cyclopropyl-N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
N-cyclopropyl-N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55712917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).