pyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone

C20H19N5O — CID 95813329

IUPACpyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCC[C@H]1c1ccc(Nc2ccccn2)cn1
InChIInChI=1S/C20H19N5O/c26-20(17-6-1-3-11-21-17)25-13-5-7-18(25)16-10-9-15(14-23-16)24-19-8-2-4-12-22-19/h1-4,6,8-12,14,18H,5,7,13H2,(H,22,24)/t18-/m0/s1
InChIKeyDULHHPTYDONFFI-SFHVURJKSA-N
MW345.41 g/mol
LogP3.59
Rot. Bonds4

About pyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone

pyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 95813329) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is pyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
PubChem CID95813329
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Namepyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCC[C@H]1c1ccc(Nc2ccccn2)cn1
InChIInChI=1S/C20H19N5O/c26-20(17-6-1-3-11-21-17)25-13-5-7-18(25)16-10-9-15(14-23-16)24-19-8-2-4-12-22-19/h1-4,6,8-12,14,18H,5,7,13H2,(H,22,24)/t18-/m0/s1
InChIKeyDULHHPTYDONFFI-SFHVURJKSA-N
XLogP3.59
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95813369
2-phenoxy-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95813317
N-(4-fluorophenyl)-2-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110252150
(6-methoxy-2H-chromen-3-yl)-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110252201
3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 110252269
[(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 92575211
cyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 95813574
[(2S)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 92575064
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 66869206
2-[2-methoxy-4-[[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 95813466
6-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 95813435
1-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]ethanone
CID 168983000

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The IUPAC name of pyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone (CID 95813329) is pyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for pyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for pyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone is O=C(c1ccccn1)N1CCC[C@H]1c1ccc(Nc2ccccn2)cn1.
What is the InChIKey of pyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The InChIKey is DULHHPTYDONFFI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19N5O/c26-20(17-6-1-3-11-21-17)25-13-5-7-18(25)16-10-9-15(14-23-16)24-19-8-2-4-12-22-19/h1-4,6,8-12,14,18H,5,7,13H2,(H,22,24)/t18-/m0/s1.
What are the key properties of pyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone?
pyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 345.41 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95813329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).