5-bromo-N-(cyclopropylmethyl)-3-methylpyridine-2-carboxamide

C11H13BrN2O — CID 146675190

IUPAC5-bromo-N-(cyclopropylmethyl)-3-methylpyridine-2-carboxamide
SMILESCc1cc(Br)cnc1C(=O)NCC1CC1
InChIInChI=1S/C11H13BrN2O/c1-7-4-9(12)6-13-10(7)11(15)14-5-8-2-3-8/h4,6,8H,2-3,5H2,1H3,(H,14,15)
InChIKeyOQVSBGVLMOTWIY-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.29
Rot. Bonds3

About 5-bromo-N-(cyclopropylmethyl)-3-methylpyridine-2-carboxamide

5-bromo-N-(cyclopropylmethyl)-3-methylpyridine-2-carboxamide (PubChem CID 146675190) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 5-bromo-N-(cyclopropylmethyl)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(cyclopropylmethyl)-3-methylpyridine-2-carboxamide
PubChem CID146675190
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name5-bromo-N-(cyclopropylmethyl)-3-methylpyridine-2-carboxamide
SMILESCc1cc(Br)cnc1C(=O)NCC1CC1
InChIInChI=1S/C11H13BrN2O/c1-7-4-9(12)6-13-10(7)11(15)14-5-8-2-3-8/h4,6,8H,2-3,5H2,1H3,(H,14,15)
InChIKeyOQVSBGVLMOTWIY-UHFFFAOYSA-N
XLogP2.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide
CID 166261774
5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-2-carboxamide
CID 114148125
5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide
CID 114148085
5-bromo-N-tert-butyl-N,3-dimethylpyridine-2-carboxamide
CID 70896534
5-bromo-2-chloro-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 130572235
4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81225290
N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide
CID 133360369
4-[[(5-bromo-2-methylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79526397
N-[(4-bromocyclohexyl)methyl]-2,4,6-trimethylbenzamide
CID 106134544
5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 62329650
3,5-dibromo-N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134583
2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclopropylmethyl)-3-methylpyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(cyclopropylmethyl)-3-methylpyridine-2-carboxamide (CID 146675190) is 5-bromo-N-(cyclopropylmethyl)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(cyclopropylmethyl)-3-methylpyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(cyclopropylmethyl)-3-methylpyridine-2-carboxamide is Cc1cc(Br)cnc1C(=O)NCC1CC1.
What is the InChIKey of 5-bromo-N-(cyclopropylmethyl)-3-methylpyridine-2-carboxamide?
The InChIKey is OQVSBGVLMOTWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-7-4-9(12)6-13-10(7)11(15)14-5-8-2-3-8/h4,6,8H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-(cyclopropylmethyl)-3-methylpyridine-2-carboxamide?
5-bromo-N-(cyclopropylmethyl)-3-methylpyridine-2-carboxamide has a molecular weight of 269.14 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclopropylmethyl)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 146675190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).