(5-cyclopropyl-2-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

C18H20N4O — CID 120731790

IUPAC(5-cyclopropyl-2-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(C2CC2)cn1)N1CCNCC1c1cccnc1
InChIInChI=1S/C18H20N4O/c23-18(16-6-5-14(11-21-16)13-3-4-13)22-9-8-20-12-17(22)15-2-1-7-19-10-15/h1-2,5-7,10-11,13,17,20H,3-4,8-9,12H2
InChIKeyLYIHAPSAPCKIGW-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.14
Rot. Bonds3

About (5-cyclopropyl-2-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

(5-cyclopropyl-2-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120731790) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is (5-cyclopropyl-2-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-2-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120731790
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name(5-cyclopropyl-2-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(C2CC2)cn1)N1CCNCC1c1cccnc1
InChIInChI=1S/C18H20N4O/c23-18(16-6-5-14(11-21-16)13-3-4-13)22-9-8-20-12-17(22)15-2-1-7-19-10-15/h1-2,5-7,10-11,13,17,20H,3-4,8-9,12H2
InChIKeyLYIHAPSAPCKIGW-UHFFFAOYSA-N
XLogP2.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916
(5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731863
(5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731862
(5-chloropyrimidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729438
(2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 120730091
(3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732345
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729984
(2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride
CID 120729292
(1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731694
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-2-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-cyclopropyl-2-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120731790) is (5-cyclopropyl-2-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-cyclopropyl-2-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-cyclopropyl-2-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is O=C(c1ccc(C2CC2)cn1)N1CCNCC1c1cccnc1.
What is the InChIKey of (5-cyclopropyl-2-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is LYIHAPSAPCKIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-18(16-6-5-14(11-21-16)13-3-4-13)22-9-8-20-12-17(22)15-2-1-7-19-10-15/h1-2,5-7,10-11,13,17,20H,3-4,8-9,12H2.
What are the key properties of (5-cyclopropyl-2-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
(5-cyclopropyl-2-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 308.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-2-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120731790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).