1-[6-[(5-methylfuran-2-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one

C15H17N3O2 — CID 126783097

IUPAC1-[6-[(5-methylfuran-2-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one
SMILESCc1ccc(CNc2ccc(N3CCCC3=O)cn2)o1
InChIInChI=1S/C15H17N3O2/c1-11-4-6-13(20-11)10-17-14-7-5-12(9-16-14)18-8-2-3-15(18)19/h4-7,9H,2-3,8,10H2,1H3,(H,16,17)
InChIKeyPWCNBWWJJFBYJO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.72
Rot. Bonds4

About 1-[6-[(5-methylfuran-2-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one

1-[6-[(5-methylfuran-2-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one (PubChem CID 126783097) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[6-[(5-methylfuran-2-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[6-[(5-methylfuran-2-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one
PubChem CID126783097
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[6-[(5-methylfuran-2-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one
SMILESCc1ccc(CNc2ccc(N3CCCC3=O)cn2)o1
InChIInChI=1S/C15H17N3O2/c1-11-4-6-13(20-11)10-17-14-7-5-12(9-16-14)18-8-2-3-15(18)19/h4-7,9H,2-3,8,10H2,1H3,(H,16,17)
InChIKeyPWCNBWWJJFBYJO-UHFFFAOYSA-N
XLogP2.72
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one
CID 126769141
(2R)-2-amino-N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]propanamide;hydrochloride
CID 120873315
cis-(1R,3S)-2,2-dimethyl-3-[[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122066179
N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]spiro[2.4]heptane-2-carboxamide
CID 139011136
6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 133345456
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
3-[(5-methylfuran-2-yl)methylamino]cyclopent-2-en-1-one
CID 104788468
1-[6-[[6-(5-chloro-1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride
CID 69399968
1-[6-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one;dihydrochloride
CID 69231638
4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 86879794
1-[4-[[(5-acetyl-4-methylpyrimidin-2-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 137344435
1-[4-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 135108946

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(5-methylfuran-2-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 1-[6-[(5-methylfuran-2-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one (CID 126783097) is 1-[6-[(5-methylfuran-2-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[6-[(5-methylfuran-2-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 1-[6-[(5-methylfuran-2-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one is Cc1ccc(CNc2ccc(N3CCCC3=O)cn2)o1.
What is the InChIKey of 1-[6-[(5-methylfuran-2-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one?
The InChIKey is PWCNBWWJJFBYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-4-6-13(20-11)10-17-14-7-5-12(9-16-14)18-8-2-3-15(18)19/h4-7,9H,2-3,8,10H2,1H3,(H,16,17).
What are the key properties of 1-[6-[(5-methylfuran-2-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one?
1-[6-[(5-methylfuran-2-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one has a molecular weight of 271.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(5-methylfuran-2-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 126783097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).