N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-4-methyl-1,4-diazepane-1-carboxamide

C15H23ClN4O2 — CID 136546888

IUPACN-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-4-methyl-1,4-diazepane-1-carboxamide
SMILESCC(C)Oc1ncc(Cl)cc1NC(=O)N1CCCN(C)CC1
InChIInChI=1S/C15H23ClN4O2/c1-11(2)22-14-13(9-12(16)10-17-14)18-15(21)20-6-4-5-19(3)7-8-20/h9-11H,4-8H2,1-3H3,(H,18,21)
InChIKeyJSYXWIKCJOYNIH-UHFFFAOYSA-N
MW326.83 g/mol
LogP2.69
Rot. Bonds3

About N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-4-methyl-1,4-diazepane-1-carboxamide

N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-4-methyl-1,4-diazepane-1-carboxamide (PubChem CID 136546888) has the molecular formula C15H23ClN4O2 and a molecular weight of 326.83 g/mol. Its IUPAC name is N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-4-methyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-4-methyl-1,4-diazepane-1-carboxamide
PubChem CID136546888
Molecular FormulaC15H23ClN4O2
Molecular Weight326.83 g/mol
Exact Mass326.15
IUPAC NameN-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-4-methyl-1,4-diazepane-1-carboxamide
SMILESCC(C)Oc1ncc(Cl)cc1NC(=O)N1CCCN(C)CC1
InChIInChI=1S/C15H23ClN4O2/c1-11(2)22-14-13(9-12(16)10-17-14)18-15(21)20-6-4-5-19(3)7-8-20/h9-11H,4-8H2,1-3H3,(H,18,21)
InChIKeyJSYXWIKCJOYNIH-UHFFFAOYSA-N
XLogP2.69
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole-2-carboxamide
CID 128638791
N-(2-hydroxyphenyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 68992823
2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]benzoic acid
CID 61193391
2-chloro-5-[(4-methyl-1,4-diazepane-1-carbonyl)amino]benzoic acid
CID 61193508
N-(3,5-dibromophenyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 68996350
N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 108988465
(5-chloro-2-propan-2-yloxy-3-pyridinyl)boronic acid
CID 53216339
N-(1-butyl-5-methylpyrazol-4-yl)-4-methyl-1,4-diazepane-1-carboxamide
CID 75500158
5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137457902
N-(4-methoxyquinolin-8-yl)-4-methyl-1,4-diazepane-1-carboxamide
CID 84597397
5-bromo-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid
CID 62074359
N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide
CID 108988464

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-4-methyl-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-4-methyl-1,4-diazepane-1-carboxamide (CID 136546888) is N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-4-methyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-4-methyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-4-methyl-1,4-diazepane-1-carboxamide is CC(C)Oc1ncc(Cl)cc1NC(=O)N1CCCN(C)CC1.
What is the InChIKey of N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-4-methyl-1,4-diazepane-1-carboxamide?
The InChIKey is JSYXWIKCJOYNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O2/c1-11(2)22-14-13(9-12(16)10-17-14)18-15(21)20-6-4-5-19(3)7-8-20/h9-11H,4-8H2,1-3H3,(H,18,21).
What are the key properties of N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-4-methyl-1,4-diazepane-1-carboxamide?
N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-4-methyl-1,4-diazepane-1-carboxamide has a molecular weight of 326.83 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-4-methyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 136546888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).