3,5-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide

C14H19Cl2N3O — CID 155525815

IUPAC3,5-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-9(2)19-5-3-11(4-6-19)18-14(20)13-12(16)7-10(15)8-17-13/h7-9,11H,3-6H2,1-2H3,(H,18,20)
InChIKeyMXGYNEVDJXOMAW-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.99
Rot. Bonds3

About 3,5-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide

3,5-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 155525815) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is 3,5-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
PubChem CID155525815
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name3,5-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-9(2)19-5-3-11(4-6-19)18-14(20)13-12(16)7-10(15)8-17-13/h7-9,11H,3-6H2,1-2H3,(H,18,20)
InChIKeyMXGYNEVDJXOMAW-UHFFFAOYSA-N
XLogP2.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 71307
VU0364770
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CID 163727
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4-Chloro-N,N-diethylpyridine-2-carboxamide
CID 2531799
N-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]pyridine-2-carboxamide
CID 145966311
N-allyl-4-chloro-2-pyridinecarboxamide
CID 3743768
N-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]pyridine-2-carboxamide
CID 11407062
N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]pyridine-2-carboxamide
CID 48199186
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyridine-2-carboxamide
CID 145964528
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyridine-2-carboxamide
CID 145967317
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]pyridine-2-carboxamide
CID 145975606

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 3,5-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide (CID 155525815) is 3,5-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3,5-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 3,5-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide is CC(C)N1CCC(NC(=O)c2ncc(Cl)cc2Cl)CC1.
What is the InChIKey of 3,5-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is MXGYNEVDJXOMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-9(2)19-5-3-11(4-6-19)18-14(20)13-12(16)7-10(15)8-17-13/h7-9,11H,3-6H2,1-2H3,(H,18,20).
What are the key properties of 3,5-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide?
3,5-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 316.23 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 155525815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).