4-(bromomethylidene)-N-pyridin-3-ylpiperidine-1-carboxamide

C12H14BrN3O — CID 66883942

IUPAC4-(bromomethylidene)-N-pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCC(=CBr)CC1
InChIInChI=1S/C12H14BrN3O/c13-8-10-3-6-16(7-4-10)12(17)15-11-2-1-5-14-9-11/h1-2,5,8-9H,3-4,6-7H2,(H,15,17)
InChIKeyVJMHJMRUIMKOLL-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.99
Rot. Bonds1

About 4-(bromomethylidene)-N-pyridin-3-ylpiperidine-1-carboxamide

4-(bromomethylidene)-N-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 66883942) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 4-(bromomethylidene)-N-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(bromomethylidene)-N-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID66883942
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name4-(bromomethylidene)-N-pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCC(=CBr)CC1
InChIInChI=1S/C12H14BrN3O/c13-8-10-3-6-16(7-4-10)12(17)15-11-2-1-5-14-9-11/h1-2,5,8-9H,3-4,6-7H2,(H,15,17)
InChIKeyVJMHJMRUIMKOLL-UHFFFAOYSA-N
XLogP2.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 110706402
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
4-pyridin-2-yl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 18101774
4-[(3-but-3-en-2-yloxyphenyl)methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66889276
4-[4-(hydroxyamino)-4-oxobutyl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 11849007
3-(cyclopropylmethoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 119105538
N-pyridin-3-yl-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47050086
1-[1-(pyridin-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311465
N-pyridin-3-yl-4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 24964786
4-[cyclobutyl(methylsulfonyl)amino]-N-pyridin-3-ylazepane-1-carboxamide
CID 129004395
(2S)-2-cyano-N-pyridin-3-ylmorpholine-4-carboxamide
CID 97204217
N-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 166316460

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethylidene)-N-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-(bromomethylidene)-N-pyridin-3-ylpiperidine-1-carboxamide (CID 66883942) is 4-(bromomethylidene)-N-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(bromomethylidene)-N-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-(bromomethylidene)-N-pyridin-3-ylpiperidine-1-carboxamide is O=C(Nc1cccnc1)N1CCC(=CBr)CC1.
What is the InChIKey of 4-(bromomethylidene)-N-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is VJMHJMRUIMKOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c13-8-10-3-6-16(7-4-10)12(17)15-11-2-1-5-14-9-11/h1-2,5,8-9H,3-4,6-7H2,(H,15,17).
What are the key properties of 4-(bromomethylidene)-N-pyridin-3-ylpiperidine-1-carboxamide?
4-(bromomethylidene)-N-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 296.17 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethylidene)-N-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 66883942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).