[(3S)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone

C16H16F2N4O2 — CID 97138669

IUPAC[(3S)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CC[C@H](Nc2ccc(OC(F)F)cn2)C1
InChIInChI=1S/C16H16F2N4O2/c17-16(18)24-12-4-5-14(20-9-12)21-11-6-8-22(10-11)15(23)13-3-1-2-7-19-13/h1-5,7,9,11,16H,6,8,10H2,(H,20,21)/t11-/m0/s1
InChIKeyYECGIFDAZYCPOA-NSHDSACASA-N
MW334.33 g/mol
LogP2.40
Rot. Bonds5

About [(3S)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone

[(3S)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 97138669) has the molecular formula C16H16F2N4O2 and a molecular weight of 334.33 g/mol. Its IUPAC name is [(3S)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
PubChem CID97138669
Molecular FormulaC16H16F2N4O2
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name[(3S)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CC[C@H](Nc2ccc(OC(F)F)cn2)C1
InChIInChI=1S/C16H16F2N4O2/c17-16(18)24-12-4-5-14(20-9-12)21-11-6-8-22(10-11)15(23)13-3-1-2-7-19-13/h1-5,7,9,11,16H,6,8,10H2,(H,20,21)/t11-/m0/s1
InChIKeyYECGIFDAZYCPOA-NSHDSACASA-N
XLogP2.40
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone with MolForge

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Related Compounds

pyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone
CID 133404500
[3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133404509
5-(difluoromethoxy)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 97160979
cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
CID 175863488
5-fluoro-2-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]benzonitrile
CID 133404555
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
[3-(4-iodo-2-nitroanilino)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133404565
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
methyl (3S,4S)-3-methyl-1-(pyridine-2-carbonyl)piperidine-4-carboxylate
CID 99834690
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 [(3S)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3S)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 97138669) is [(3S)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3S)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CC[C@H](Nc2ccc(OC(F)F)cn2)C1.
What is the InChIKey of [(3S)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is YECGIFDAZYCPOA-NSHDSACASA-N. The full InChI is InChI=1S/C16H16F2N4O2/c17-16(18)24-12-4-5-14(20-9-12)21-11-6-8-22(10-11)15(23)13-3-1-2-7-19-13/h1-5,7,9,11,16H,6,8,10H2,(H,20,21)/t11-/m0/s1.
What are the key properties of [(3S)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
[(3S)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 334.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 97138669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).