pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone

C15H16N4O — CID 53185338

IUPACpyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCC(Nc2cccnc2)C1
InChIInChI=1S/C15H16N4O/c20-15(12-3-1-6-16-9-12)19-8-5-14(11-19)18-13-4-2-7-17-10-13/h1-4,6-7,9-10,14,18H,5,8,11H2
InChIKeyAKFFPBIIKCNSJI-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.80
Rot. Bonds3

About pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone

pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone (PubChem CID 53185338) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
PubChem CID53185338
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Namepyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCC(Nc2cccnc2)C1
InChIInChI=1S/C15H16N4O/c20-15(12-3-1-6-16-9-12)19-8-5-14(11-19)18-13-4-2-7-17-10-13/h1-4,6-7,9-10,14,18H,5,8,11H2
InChIKeyAKFFPBIIKCNSJI-UHFFFAOYSA-N
XLogP1.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107441
(2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107427
N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 53185412
(2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107411
[3-(4-propan-2-ylanilino)piperidin-1-yl]-pyridin-3-ylmethanone
CID 24817805
2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
CID 95107482
2-cyclopentyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
CID 95107481
3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
CID 95107492
(3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 95107540
(1-phenylcyclopropyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185393
1-[(1R,2R)-2-methylcyclopropyl]-3-[(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]urea
CID 97227779
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 53185419

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone (CID 53185338) is pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone is O=C(c1cccnc1)N1CCC(Nc2cccnc2)C1.
What is the InChIKey of pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
The InChIKey is AKFFPBIIKCNSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c20-15(12-3-1-6-16-9-12)19-8-5-14(11-19)18-13-4-2-7-17-10-13/h1-4,6-7,9-10,14,18H,5,8,11H2.
What are the key properties of pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone?
pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone has a molecular weight of 268.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 53185338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).