2-chloro-N-(1-cyclopropylpiperidin-4-yl)pyridine-3-carboxamide

C14H18ClN3O — CID 60728134

IUPAC2-chloro-N-(1-cyclopropylpiperidin-4-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCN(C2CC2)CC1)c1cccnc1Cl
InChIInChI=1S/C14H18ClN3O/c15-13-12(2-1-7-16-13)14(19)17-10-5-8-18(9-6-10)11-3-4-11/h1-2,7,10-11H,3-6,8-9H2,(H,17,19)
InChIKeyKMPQIRFPAJBNPW-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.09
Rot. Bonds3

About 2-chloro-N-(1-cyclopropylpiperidin-4-yl)pyridine-3-carboxamide

2-chloro-N-(1-cyclopropylpiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 60728134) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclopropylpiperidin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyclopropylpiperidin-4-yl)pyridine-3-carboxamide
PubChem CID60728134
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-chloro-N-(1-cyclopropylpiperidin-4-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCN(C2CC2)CC1)c1cccnc1Cl
InChIInChI=1S/C14H18ClN3O/c15-13-12(2-1-7-16-13)14(19)17-10-5-8-18(9-6-10)11-3-4-11/h1-2,7,10-11H,3-6,8-9H2,(H,17,19)
InChIKeyKMPQIRFPAJBNPW-UHFFFAOYSA-N
XLogP2.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 21487786
2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
CID 102796878
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
CID 6595863
3-amino-N-(1-cyclopropylpiperidin-4-yl)pyridine-2-carboxamide
CID 104741372
2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 60727535
2-chloro-N-[1-(2-methoxyphenyl)piperidin-4-yl]pyridine-3-carboxamide
CID 136579840
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
N-(1-cyclopropylpyrrolidin-3-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62173888
4-chloro-N-(1-cyclopropylpiperidin-4-yl)-2-fluorobenzamide
CID 46548528
N-(1-cyclopropylpyrrolidin-3-yl)-2-phenylsulfanylpyridine-3-carboxamide
CID 47074740
N-(1-cyclopropylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 115646277
3-amino-2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 112575801

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyclopropylpiperidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(1-cyclopropylpiperidin-4-yl)pyridine-3-carboxamide (CID 60728134) is 2-chloro-N-(1-cyclopropylpiperidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(1-cyclopropylpiperidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(1-cyclopropylpiperidin-4-yl)pyridine-3-carboxamide is O=C(NC1CCN(C2CC2)CC1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(1-cyclopropylpiperidin-4-yl)pyridine-3-carboxamide?
The InChIKey is KMPQIRFPAJBNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c15-13-12(2-1-7-16-13)14(19)17-10-5-8-18(9-6-10)11-3-4-11/h1-2,7,10-11H,3-6,8-9H2,(H,17,19).
What are the key properties of 2-chloro-N-(1-cyclopropylpiperidin-4-yl)pyridine-3-carboxamide?
2-chloro-N-(1-cyclopropylpiperidin-4-yl)pyridine-3-carboxamide has a molecular weight of 279.77 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclopropylpiperidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 60728134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).