[3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone

C15H15ClN4O — CID 133404509

IUPAC[3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC(Nc2ncccc2Cl)C1
InChIInChI=1S/C15H15ClN4O/c16-12-4-3-8-18-14(12)19-11-6-9-20(10-11)15(21)13-5-1-2-7-17-13/h1-5,7-8,11H,6,9-10H2,(H,18,19)
InChIKeyDUDIMRBQGOISKT-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.46
Rot. Bonds3

About [3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone

[3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 133404509) has the molecular formula C15H15ClN4O and a molecular weight of 302.76 g/mol. Its IUPAC name is [3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
PubChem CID133404509
Molecular FormulaC15H15ClN4O
Molecular Weight302.76 g/mol
Exact Mass302.09
IUPAC Name[3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC(Nc2ncccc2Cl)C1
InChIInChI=1S/C15H15ClN4O/c16-12-4-3-8-18-14(12)19-11-6-9-20(10-11)15(21)13-5-1-2-7-17-13/h1-5,7-8,11H,6,9-10H2,(H,18,19)
InChIKeyDUDIMRBQGOISKT-UHFFFAOYSA-N
XLogP2.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile
CID 75433556
[3-[(4-methyl-3-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133367516
[(3S)-3-[(2-phenylquinazolin-4-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 97016537
pyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone
CID 133404500
[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 53185554
5-fluoro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile
CID 133404555
4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]piperidine-1-carboxylic acid
CID 71120257
N-[2-[4-[(3-chloro-2-pyridinyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide
CID 166411501
[3-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133404612
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
[(3S)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 97138669

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 133404509) is [3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCC(Nc2ncccc2Cl)C1.
What is the InChIKey of [3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is DUDIMRBQGOISKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c16-12-4-3-8-18-14(12)19-11-6-9-20(10-11)15(21)13-5-1-2-7-17-13/h1-5,7-8,11H,6,9-10H2,(H,18,19).
What are the key properties of [3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
[3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 302.76 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 133404509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).