pyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone

C19H18N4O — CID 133404500

IUPACpyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCC(Nc2ccc3ccccc3n2)C1
InChIInChI=1S/C19H18N4O/c24-19(17-7-3-4-11-20-17)23-12-10-15(13-23)21-18-9-8-14-5-1-2-6-16(14)22-18/h1-9,11,15H,10,12-13H2,(H,21,22)
InChIKeyAITWHFROWNFOBQ-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.96
Rot. Bonds3

About pyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone

pyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone (PubChem CID 133404500) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is pyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone
PubChem CID133404500
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Namepyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCC(Nc2ccc3ccccc3n2)C1
InChIInChI=1S/C19H18N4O/c24-19(17-7-3-4-11-20-17)23-12-10-15(13-23)21-18-9-8-14-5-1-2-6-16(14)22-18/h1-9,11,15H,10,12-13H2,(H,21,22)
InChIKeyAITWHFROWNFOBQ-UHFFFAOYSA-N
XLogP2.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-[(2-phenylquinazolin-4-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 97016537
[(3S)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 97138669
pyridin-2-yl-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815849
[3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133404509
6-nitro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile
CID 133404584
[3-(pyrimidin-2-ylamino)azetidin-1-yl]-quinolin-2-ylmethanone
CID 121187471
N-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide
CID 166407641
3-chloro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile
CID 75433556
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
CID 175863488
4-methyl-N-[(3R)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thiophene-3-carboxamide
CID 97237121

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of pyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone (CID 133404500) is pyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for pyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for pyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone is O=C(c1ccccn1)N1CCC(Nc2ccc3ccccc3n2)C1.
What is the InChIKey of pyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone?
The InChIKey is AITWHFROWNFOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c24-19(17-7-3-4-11-20-17)23-12-10-15(13-23)21-18-9-8-14-5-1-2-6-16(14)22-18/h1-9,11,15H,10,12-13H2,(H,21,22).
What are the key properties of pyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone?
pyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone has a molecular weight of 318.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 133404500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).