N-(5-chloro-2-pyridinyl)-5-methyl-1,4-oxazepane-4-carboxamide

C12H16ClN3O2 — CID 146125492

IUPACN-(5-chloro-2-pyridinyl)-5-methyl-1,4-oxazepane-4-carboxamide
SMILESCC1CCOCCN1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H16ClN3O2/c1-9-4-6-18-7-5-16(9)12(17)15-11-3-2-10(13)8-14-11/h2-3,8-9H,4-7H2,1H3,(H,14,15,17)
InChIKeyXGCISCCNDINRKN-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.38
Rot. Bonds1

About N-(5-chloro-2-pyridinyl)-5-methyl-1,4-oxazepane-4-carboxamide

N-(5-chloro-2-pyridinyl)-5-methyl-1,4-oxazepane-4-carboxamide (PubChem CID 146125492) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-methyl-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-5-methyl-1,4-oxazepane-4-carboxamide
PubChem CID146125492
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC NameN-(5-chloro-2-pyridinyl)-5-methyl-1,4-oxazepane-4-carboxamide
SMILESCC1CCOCCN1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H16ClN3O2/c1-9-4-6-18-7-5-16(9)12(17)15-11-3-2-10(13)8-14-11/h2-3,8-9H,4-7H2,1H3,(H,14,15,17)
InChIKeyXGCISCCNDINRKN-UHFFFAOYSA-N
XLogP2.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide
CID 128882243
N-(5-chloro-2-pyridinyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide
CID 127785689
N-(4-chloro-3-methoxyphenyl)-5-methyl-1,4-oxazepane-4-carboxamide
CID 136537892
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide
CID 164584586
3-[(5-chloro-2-pyridinyl)amino]-1-(oxan-4-yl)pyrrolidin-2-one
CID 86769519
(5R)-N-(4-cyclopentyloxyphenyl)-5-methyl-1,4-oxazepane-4-carboxamide
CID 97333817
N-(5-chloro-2-pyridinyl)-3-methyloxetane-3-carboxamide
CID 146022433
N-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide
CID 114422738
N-(5-chloro-2-pyridinyl)-2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)acetamide
CID 126779195
1-[2-amino-2-(oxan-4-yl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 120798562
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide
CID 129333058
5-methyl-N-[4-(N-methylanilino)butyl]-1,4-oxazepane-4-carboxamide
CID 84596201

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-5-methyl-1,4-oxazepane-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-5-methyl-1,4-oxazepane-4-carboxamide (CID 146125492) is N-(5-chloro-2-pyridinyl)-5-methyl-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-methyl-1,4-oxazepane-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-methyl-1,4-oxazepane-4-carboxamide is CC1CCOCCN1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-methyl-1,4-oxazepane-4-carboxamide?
The InChIKey is XGCISCCNDINRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-9-4-6-18-7-5-16(9)12(17)15-11-3-2-10(13)8-14-11/h2-3,8-9H,4-7H2,1H3,(H,14,15,17).
What are the key properties of N-(5-chloro-2-pyridinyl)-5-methyl-1,4-oxazepane-4-carboxamide?
N-(5-chloro-2-pyridinyl)-5-methyl-1,4-oxazepane-4-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-5-methyl-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 146125492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).