[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[5-(dimethylamino)-2-pyridinyl]methanone

C18H24N6O — CID 138044699

IUPAC[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[5-(dimethylamino)-2-pyridinyl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCCC(c3nncn3C3CC3)C2)nc1
InChIInChI=1S/C18H24N6O/c1-22(2)15-7-8-16(19-10-15)18(25)23-9-3-4-13(11-23)17-21-20-12-24(17)14-5-6-14/h7-8,10,12-14H,3-6,9,11H2,1-2H3
InChIKeyWTBNHODEGLAQST-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.09
Rot. Bonds4

About [3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[5-(dimethylamino)-2-pyridinyl]methanone

[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[5-(dimethylamino)-2-pyridinyl]methanone (PubChem CID 138044699) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is [3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[5-(dimethylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[5-(dimethylamino)-2-pyridinyl]methanone
PubChem CID138044699
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[5-(dimethylamino)-2-pyridinyl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCCC(c3nncn3C3CC3)C2)nc1
InChIInChI=1S/C18H24N6O/c1-22(2)15-7-8-16(19-10-15)18(25)23-9-3-4-13(11-23)17-21-20-12-24(17)14-5-6-14/h7-8,10,12-14H,3-6,9,11H2,1-2H3
InChIKeyWTBNHODEGLAQST-UHFFFAOYSA-N
XLogP2.09
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[5-(dimethylamino)-2-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 127757987
3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2-ethylpyrimidin-5-yl)piperidine-1-carboxamide
CID 75502081
[3-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 104641657
[3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 53192818
(3R)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-thiophen-3-ylpiperidine-1-carboxamide
CID 97349966
1-[(3S)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 124554934
N-[4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 86935480
(3-chloropiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
CID 104643088
(2-bromo-4-pyridinyl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 103754456
[5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 104641627
2-methyl-6-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 124606695
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 72941096

Frequently Asked Questions

What is the IUPAC name of [3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[5-(dimethylamino)-2-pyridinyl]methanone?
The IUPAC name of [3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[5-(dimethylamino)-2-pyridinyl]methanone (CID 138044699) is [3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[5-(dimethylamino)-2-pyridinyl]methanone.
What is the SMILES notation for [3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[5-(dimethylamino)-2-pyridinyl]methanone?
The canonical SMILES for [3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[5-(dimethylamino)-2-pyridinyl]methanone is CN(C)c1ccc(C(=O)N2CCCC(c3nncn3C3CC3)C2)nc1.
What is the InChIKey of [3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[5-(dimethylamino)-2-pyridinyl]methanone?
The InChIKey is WTBNHODEGLAQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-22(2)15-7-8-16(19-10-15)18(25)23-9-3-4-13(11-23)17-21-20-12-24(17)14-5-6-14/h7-8,10,12-14H,3-6,9,11H2,1-2H3.
What are the key properties of [3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[5-(dimethylamino)-2-pyridinyl]methanone?
[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[5-(dimethylamino)-2-pyridinyl]methanone has a molecular weight of 340.43 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[5-(dimethylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 138044699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).