2-amino-5-bromo-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide

C12H16BrN3O2 — CID 114193980

IUPAC2-amino-5-bromo-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCC2(O)CCCC2)c(Br)cn1
InChIInChI=1S/C12H16BrN3O2/c13-9-6-15-10(14)5-8(9)11(17)16-7-12(18)3-1-2-4-12/h5-6,18H,1-4,7H2,(H2,14,15)(H,16,17)
InChIKeyAUMGMKMTLBYSRF-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.46
Rot. Bonds3

About 2-amino-5-bromo-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide

2-amino-5-bromo-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide (PubChem CID 114193980) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
PubChem CID114193980
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name2-amino-5-bromo-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCC2(O)CCCC2)c(Br)cn1
InChIInChI=1S/C12H16BrN3O2/c13-9-6-15-10(14)5-8(9)11(17)16-7-12(18)3-1-2-4-12/h5-6,18H,1-4,7H2,(H2,14,15)(H,16,17)
InChIKeyAUMGMKMTLBYSRF-UHFFFAOYSA-N
XLogP1.46
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65104033
2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 114372464
2-amino-N-(5-amino-5-oxopentyl)-5-bromopyridine-4-carboxamide
CID 114194094
2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103712029
2-bromo-N-[(1-hydroxycycloheptyl)methyl]-5-methylbenzamide
CID 81003216
2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103883040
2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 65106081
2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide
CID 65103770
2-amino-5-bromo-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide
CID 114193960
3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 106548037
2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide
CID 114194037
5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide
CID 81316208

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide (CID 114193980) is 2-amino-5-bromo-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide is Nc1cc(C(=O)NCC2(O)CCCC2)c(Br)cn1.
What is the InChIKey of 2-amino-5-bromo-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide?
The InChIKey is AUMGMKMTLBYSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c13-9-6-15-10(14)5-8(9)11(17)16-7-12(18)3-1-2-4-12/h5-6,18H,1-4,7H2,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-5-bromo-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide?
2-amino-5-bromo-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide has a molecular weight of 314.18 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 114193980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).