3-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide

C15H20BrN3O — CID 107520178

IUPAC3-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(c1ncccc1Br)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C15H20BrN3O/c16-13-2-1-7-18-14(13)15(20)19(12-3-4-12)10-11-5-8-17-9-6-11/h1-2,7,11-12,17H,3-6,8-10H2
InChIKeyMWDFFABWXPGXAV-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.45
Rot. Bonds4

About 3-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide

3-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 107520178) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide
PubChem CID107520178
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name3-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(c1ncccc1Br)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C15H20BrN3O/c16-13-2-1-7-18-14(13)15(20)19(12-3-4-12)10-11-5-8-17-9-6-11/h1-2,7,11-12,17H,3-6,8-10H2
InChIKeyMWDFFABWXPGXAV-UHFFFAOYSA-N
XLogP2.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 107517439
3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 107518990
3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide
CID 107520198
2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 81111905
4-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)benzamide
CID 79701617
N-cyclopropyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine
CID 79720212
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-N-methylpyridine-2-carboxamide
CID 107519919
3-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 115999697
N-cyclopropyl-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79702133
N-methyl-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide
CID 79721118
N-(4-aminocyclohexyl)-N-ethyl-3-hydroxypyridine-2-carboxamide
CID 79115604
2-bromo-6-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 114560252

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide (CID 107520178) is 3-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide is O=C(c1ncccc1Br)N(CC1CCNCC1)C1CC1.
What is the InChIKey of 3-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is MWDFFABWXPGXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c16-13-2-1-7-18-14(13)15(20)19(12-3-4-12)10-11-5-8-17-9-6-11/h1-2,7,11-12,17H,3-6,8-10H2.
What are the key properties of 3-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide?
3-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 338.25 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 107520178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).