6-[[(6R)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide

C12H17N3O2 — CID 95840701

IUPAC6-[[(6R)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(C[C@@H]2CNCCOC2)n1
InChIInChI=1S/C12H17N3O2/c13-12(16)11-3-1-2-10(15-11)6-9-7-14-4-5-17-8-9/h1-3,9,14H,4-8H2,(H2,13,16)/t9-/m1/s1
InChIKeyKKZWZDAZLMARPF-SECBINFHSA-N
MW235.29 g/mol
LogP-0.04
Rot. Bonds3

About 6-[[(6R)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide

6-[[(6R)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide (PubChem CID 95840701) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-[[(6R)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[(6R)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
PubChem CID95840701
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-[[(6R)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(C[C@@H]2CNCCOC2)n1
InChIInChI=1S/C12H17N3O2/c13-12(16)11-3-1-2-10(15-11)6-9-7-14-4-5-17-8-9/h1-3,9,14H,4-8H2,(H2,13,16)/t9-/m1/s1
InChIKeyKKZWZDAZLMARPF-SECBINFHSA-N
XLogP-0.04
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 110269710
6-[[(6S)-4-(1,3-thiazole-4-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 95842641
6-(aminomethyl)pyridine-2-carboxamide;hydrochloride
CID 68864841
6-[(3,4-dichlorophenyl)methyl]-1,4-oxazepane
CID 82301345
6-(piperidin-3-ylmethoxy)pyridine-2-carboxamide
CID 64589412
N,N-dimethyl-6-[[(6R)-4-pyrimidin-2-yl-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 95841014
benzyl N-(1,4-oxazepan-6-ylmethyl)carbamate
CID 130114802
(6S)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane
CID 124938715
N-methyl-6-[[(6R)-4-(thiophen-2-ylmethyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 125023242
N-methyl-6-[[(6S)-4-(thiophen-2-ylmethyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 125023241
6-[[(6S)-6-[(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-4-isothiocyanatopyridine-2-carboxylic acid
CID 175716702
1-(2-chlorophenyl)-3-(1,4-oxazepan-6-ylmethyl)urea
CID 56885160

Frequently Asked Questions

What is the IUPAC name of 6-[[(6R)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 6-[[(6R)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide (CID 95840701) is 6-[[(6R)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[(6R)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[[(6R)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide is NC(=O)c1cccc(C[C@@H]2CNCCOC2)n1.
What is the InChIKey of 6-[[(6R)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
The InChIKey is KKZWZDAZLMARPF-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-12(16)11-3-1-2-10(15-11)6-9-7-14-4-5-17-8-9/h1-3,9,14H,4-8H2,(H2,13,16)/t9-/m1/s1.
What are the key properties of 6-[[(6R)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
6-[[(6R)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide has a molecular weight of 235.29 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(6R)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 95840701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).