5-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide

C15H22ClN3O — CID 79720431

IUPAC5-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)N(CC1CCNCC1)C(=O)c1ccc(Cl)cn1
InChIInChI=1S/C15H22ClN3O/c1-11(2)19(10-12-5-7-17-8-6-12)15(20)14-4-3-13(16)9-18-14/h3-4,9,11-12,17H,5-8,10H2,1-2H3
InChIKeyKECFUJMMRLGFGH-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.59
Rot. Bonds4

About 5-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide

5-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 79720431) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 5-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide
PubChem CID79720431
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name5-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)N(CC1CCNCC1)C(=O)c1ccc(Cl)cn1
InChIInChI=1S/C15H22ClN3O/c1-11(2)19(10-12-5-7-17-8-6-12)15(20)14-4-3-13(16)9-18-14/h3-4,9,11-12,17H,5-8,10H2,1-2H3
InChIKeyKECFUJMMRLGFGH-UHFFFAOYSA-N
XLogP2.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazine-2-carboxamide
CID 79720707
5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702408
2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79721152
N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 80666299
3-bromo-4-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 107990652
2-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 106862275
5-bromo-2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702221
3-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702736
5-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 104786254
2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702095
5-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719724
N-(cyclopropylmethyl)-N-propan-2-yl-2H-triazole-4-carboxamide
CID 78968326

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide (CID 79720431) is 5-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide is CC(C)N(CC1CCNCC1)C(=O)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is KECFUJMMRLGFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-11(2)19(10-12-5-7-17-8-6-12)15(20)14-4-3-13(16)9-18-14/h3-4,9,11-12,17H,5-8,10H2,1-2H3.
What are the key properties of 5-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide?
5-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 79720431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).