2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide

C14H19BrN2O2 — CID 103752807

IUPAC2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1(O)CCCCCC1)c1ccnc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c15-12-9-11(5-8-16-12)13(18)17-10-14(19)6-3-1-2-4-7-14/h5,8-9,19H,1-4,6-7,10H2,(H,17,18)
InChIKeyIYKBKJRIZPUVNW-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.66
Rot. Bonds3

About 2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide

2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide (PubChem CID 103752807) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide
PubChem CID103752807
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1(O)CCCCCC1)c1ccnc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c15-12-9-11(5-8-16-12)13(18)17-10-14(19)6-3-1-2-4-7-14/h5,8-9,19H,1-4,6-7,10H2,(H,17,18)
InChIKeyIYKBKJRIZPUVNW-UHFFFAOYSA-N
XLogP2.66
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 114326678
2-bromo-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide
CID 103755954
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64865903
2-[1-[(2-bromopyridine-4-carbonyl)amino]cyclopentyl]acetic acid
CID 114037372
2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide
CID 103755430
4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 103830618
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 65107127
1-chloro-N-[(1-hydroxycyclohexyl)methyl]indole-5-carboxamide
CID 158279874

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide (CID 103752807) is 2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide is O=C(NCC1(O)CCCCCC1)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide?
The InChIKey is IYKBKJRIZPUVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-12-9-11(5-8-16-12)13(18)17-10-14(19)6-3-1-2-4-7-14/h5,8-9,19H,1-4,6-7,10H2,(H,17,18).
What are the key properties of 2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide?
2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 103752807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).