5-bromo-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]pyridine-3-carboxamide

C14H17BrN2O — CID 94084670

IUPAC5-bromo-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]pyridine-3-carboxamide
SMILESC[C@H](C1CC1)N(C(=O)c1cncc(Br)c1)C1CC1
InChIInChI=1S/C14H17BrN2O/c1-9(10-2-3-10)17(13-4-5-13)14(18)11-6-12(15)8-16-7-11/h6-10,13H,2-5H2,1H3/t9-/m1/s1
InChIKeyTXOTZTWRHXJFJL-SECBINFHSA-N
MW309.21 g/mol
LogP3.25
Rot. Bonds4

About 5-bromo-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]pyridine-3-carboxamide

5-bromo-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]pyridine-3-carboxamide (PubChem CID 94084670) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]pyridine-3-carboxamide
PubChem CID94084670
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name5-bromo-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]pyridine-3-carboxamide
SMILESC[C@H](C1CC1)N(C(=O)c1cncc(Br)c1)C1CC1
InChIInChI=1S/C14H17BrN2O/c1-9(10-2-3-10)17(13-4-5-13)14(18)11-6-12(15)8-16-7-11/h6-10,13H,2-5H2,1H3/t9-/m1/s1
InChIKeyTXOTZTWRHXJFJL-SECBINFHSA-N
XLogP3.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 60636354
5-bromo-N-(2-chloroethyl)-N-cyclobutylpyridine-3-carboxamide
CID 102872640
1-(5-bromo-3-pyridinyl)-2-methylpropan-1-one
CID 20782622
N-cyclopropyl-N-(1-cyclopropylethyl)-4-(dimethylamino)-3-fluorobenzamide
CID 71883605
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
CID 106839194
1-(5-bromo-3-pyridinyl)ethanone
CID 820423
5-bromo-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 33352211
bis(5-bromo-3-pyridinyl)methanone
CID 150630113
5-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylpyridine-3-carboxamide
CID 52892977
(5-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62122883
5-bromo-N-(1-cyclobutylethyl)-N-methylpyridin-3-amine
CID 130719560
5-bromo-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 47339435

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]pyridine-3-carboxamide (CID 94084670) is 5-bromo-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]pyridine-3-carboxamide is C[C@H](C1CC1)N(C(=O)c1cncc(Br)c1)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]pyridine-3-carboxamide?
The InChIKey is TXOTZTWRHXJFJL-SECBINFHSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-9(10-2-3-10)17(13-4-5-13)14(18)11-6-12(15)8-16-7-11/h6-10,13H,2-5H2,1H3/t9-/m1/s1.
What are the key properties of 5-bromo-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]pyridine-3-carboxamide?
5-bromo-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]pyridine-3-carboxamide has a molecular weight of 309.21 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 94084670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).