5-bromo-N-[(1-methoxycyclobutyl)methyl]pyridine-3-carboxamide

C12H15BrN2O2 — CID 103991115

IUPAC5-bromo-N-[(1-methoxycyclobutyl)methyl]pyridine-3-carboxamide
SMILESCOC1(CNC(=O)c2cncc(Br)c2)CCC1
InChIInChI=1S/C12H15BrN2O2/c1-17-12(3-2-4-12)8-15-11(16)9-5-10(13)7-14-6-9/h5-7H,2-4,8H2,1H3,(H,15,16)
InChIKeyAAHRYWGRCZZHRW-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.14
Rot. Bonds4

About 5-bromo-N-[(1-methoxycyclobutyl)methyl]pyridine-3-carboxamide

5-bromo-N-[(1-methoxycyclobutyl)methyl]pyridine-3-carboxamide (PubChem CID 103991115) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 5-bromo-N-[(1-methoxycyclobutyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1-methoxycyclobutyl)methyl]pyridine-3-carboxamide
PubChem CID103991115
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name5-bromo-N-[(1-methoxycyclobutyl)methyl]pyridine-3-carboxamide
SMILESCOC1(CNC(=O)c2cncc(Br)c2)CCC1
InChIInChI=1S/C12H15BrN2O2/c1-17-12(3-2-4-12)8-15-11(16)9-5-10(13)7-14-6-9/h5-7H,2-4,8H2,1H3,(H,15,16)
InChIKeyAAHRYWGRCZZHRW-UHFFFAOYSA-N
XLogP2.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromonicotinamide
CID 1808
2-Bromo-N-(2-morpholinoethyl)nicotinamide
CID 46233338
5-bromo-N-(tetrahydro-2-furanylmethyl)nicotinamide
CID 4884775
N-benzyl-5-bromonicotinamide
CID 835760
5-bromo-N-(1-phenylpropyl)nicotinamide
CID 604231
Glycine, N-(3-pyridinylcarbonyl)-, methyl ester
CID 521804
2-Bromo-N-(3-morpholinopropyl)nicotinamide
CID 46233404
Ethyl 4-[(5-bromopyridin-3-YL)formamido]butanoate
CID 2277148
5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 2532950
5-bromo-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 2451572
5-bromo-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 2463751
5-bromo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 2524844

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-methoxycyclobutyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(1-methoxycyclobutyl)methyl]pyridine-3-carboxamide (CID 103991115) is 5-bromo-N-[(1-methoxycyclobutyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1-methoxycyclobutyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(1-methoxycyclobutyl)methyl]pyridine-3-carboxamide is COC1(CNC(=O)c2cncc(Br)c2)CCC1.
What is the InChIKey of 5-bromo-N-[(1-methoxycyclobutyl)methyl]pyridine-3-carboxamide?
The InChIKey is AAHRYWGRCZZHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-17-12(3-2-4-12)8-15-11(16)9-5-10(13)7-14-6-9/h5-7H,2-4,8H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-[(1-methoxycyclobutyl)methyl]pyridine-3-carboxamide?
5-bromo-N-[(1-methoxycyclobutyl)methyl]pyridine-3-carboxamide has a molecular weight of 299.17 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-methoxycyclobutyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 103991115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).