N-(pyridin-3-ylmethyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C20H23N5O2 — CID 108976801

IUPACN-(pyridin-3-ylmethyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cccnc1)C1(C(=O)N2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C20H23N5O2/c26-18(23-15-16-4-3-8-21-14-16)20(6-7-20)19(27)25-12-10-24(11-13-25)17-5-1-2-9-22-17/h1-5,8-9,14H,6-7,10-13,15H2,(H,23,26)
InChIKeyYHHYWYRYUCGYNS-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.22
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-(pyridin-3-ylmethyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108976801) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108976801
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-(pyridin-3-ylmethyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cccnc1)C1(C(=O)N2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C20H23N5O2/c26-18(23-15-16-4-3-8-21-14-16)20(6-7-20)19(27)25-12-10-24(11-13-25)17-5-1-2-9-22-17/h1-5,8-9,14H,6-7,10-13,15H2,(H,23,26)
InChIKeyYHHYWYRYUCGYNS-UHFFFAOYSA-N
XLogP1.22
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluorophenyl)methyl]-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975668
N-(3-methylbutyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978920
1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976772
N-phenyl-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978927
N-(3-methoxypropyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972905
1-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 108976826
N-benzyl-N-methyl-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975525
N-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 117080115
N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971956
1-N-propyl-1-N'-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108970227
1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976889
N-(pyridin-4-ylmethyl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109137199

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 108976801) is N-(pyridin-3-ylmethyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is O=C(NCc1cccnc1)C1(C(=O)N2CCN(c3ccccn3)CC2)CC1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is YHHYWYRYUCGYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c26-18(23-15-16-4-3-8-21-14-16)20(6-7-20)19(27)25-12-10-24(11-13-25)17-5-1-2-9-22-17/h1-5,8-9,14H,6-7,10-13,15H2,(H,23,26).
What are the key properties of N-(pyridin-3-ylmethyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(pyridin-3-ylmethyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108976801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).