1-(cyclopropylmethyl)-3-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one

C19H26N4O2 — CID 87054763

IUPAC1-(cyclopropylmethyl)-3-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
SMILESO=C(c1ccccn1)N1CCCN(C2CCN(CC3CC3)C2=O)CC1
InChIInChI=1S/C19H26N4O2/c24-18(16-4-1-2-8-20-16)22-10-3-9-21(12-13-22)17-7-11-23(19(17)25)14-15-5-6-15/h1-2,4,8,15,17H,3,5-7,9-14H2
InChIKeyMTWXSSKKKFKIEB-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.24
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one

1-(cyclopropylmethyl)-3-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one (PubChem CID 87054763) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
PubChem CID87054763
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-(cyclopropylmethyl)-3-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
SMILESO=C(c1ccccn1)N1CCCN(C2CCN(CC3CC3)C2=O)CC1
InChIInChI=1S/C19H26N4O2/c24-18(16-4-1-2-8-20-16)22-10-3-9-21(12-13-22)17-7-11-23(19(17)25)14-15-5-6-15/h1-2,4,8,15,17H,3,5-7,9-14H2
InChIKeyMTWXSSKKKFKIEB-UHFFFAOYSA-N
XLogP1.24
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-2-yl-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]methanone
CID 95590504
[4-(1-phenylpyrrolidin-3-yl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 138382454
N-methyl-N-phenyl-2-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 47809870
3-[4-(isoquinoline-1-carbonyl)-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91654003
[4-(2-chloroethyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 63394596
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone
CID 95751558
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 30346280
3-[4-(2-ethoxybenzoyl)-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 71687197
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
2-phenyl-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110808251
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 110807707
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-3-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one (CID 87054763) is 1-(cyclopropylmethyl)-3-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one is O=C(c1ccccn1)N1CCCN(C2CCN(CC3CC3)C2=O)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one?
The InChIKey is MTWXSSKKKFKIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-18(16-4-1-2-8-20-16)22-10-3-9-21(12-13-22)17-7-11-23(19(17)25)14-15-5-6-15/h1-2,4,8,15,17H,3,5-7,9-14H2.
What are the key properties of 1-(cyclopropylmethyl)-3-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one?
1-(cyclopropylmethyl)-3-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one has a molecular weight of 342.44 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 87054763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).