4-(cyclopropylmethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one

C18H25N3O3 — CID 56873880

IUPAC4-(cyclopropylmethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one
SMILESCC(C)C1CN(C(=O)c2ccc(=O)[nH]c2)CCC(=O)N1CC1CC1
InChIInChI=1S/C18H25N3O3/c1-12(2)15-11-20(18(24)14-5-6-16(22)19-9-14)8-7-17(23)21(15)10-13-3-4-13/h5-6,9,12-13,15H,3-4,7-8,10-11H2,1-2H3,(H,19,22)
InChIKeyWSUJYASMESRCQP-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.48
Rot. Bonds4

About 4-(cyclopropylmethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one

4-(cyclopropylmethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one (PubChem CID 56873880) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one
PubChem CID56873880
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name4-(cyclopropylmethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one
SMILESCC(C)C1CN(C(=O)c2ccc(=O)[nH]c2)CCC(=O)N1CC1CC1
InChIInChI=1S/C18H25N3O3/c1-12(2)15-11-20(18(24)14-5-6-16(22)19-9-14)8-7-17(23)21(15)10-13-3-4-13/h5-6,9,12-13,15H,3-4,7-8,10-11H2,1-2H3,(H,19,22)
InChIKeyWSUJYASMESRCQP-UHFFFAOYSA-N
XLogP1.48
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one?
The IUPAC name of 4-(cyclopropylmethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one (CID 56873880) is 4-(cyclopropylmethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one?
The canonical SMILES for 4-(cyclopropylmethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one is CC(C)C1CN(C(=O)c2ccc(=O)[nH]c2)CCC(=O)N1CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one?
The InChIKey is WSUJYASMESRCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12(2)15-11-20(18(24)14-5-6-16(22)19-9-14)8-7-17(23)21(15)10-13-3-4-13/h5-6,9,12-13,15H,3-4,7-8,10-11H2,1-2H3,(H,19,22).
What are the key properties of 4-(cyclopropylmethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one?
4-(cyclopropylmethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one has a molecular weight of 331.42 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one is sourced from PubChem (CID 56873880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).