(3R)-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)pyrrolidine-3-carbonitrile

C15H13N5O — CID 155731320

IUPAC(3R)-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)pyrrolidine-3-carbonitrile
SMILESN#C[C@@H]1CCN(C(=O)c2cccnc2-c2ccncn2)C1
InChIInChI=1S/C15H13N5O/c16-8-11-4-7-20(9-11)15(21)12-2-1-5-18-14(12)13-3-6-17-10-19-13/h1-3,5-6,10-11H,4,7,9H2/t11-/m0/s1
InChIKeyKIYDUXGEHCFHRY-NSHDSACASA-N
MW279.30 g/mol
LogP1.52
Rot. Bonds2

About (3R)-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)pyrrolidine-3-carbonitrile

(3R)-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)pyrrolidine-3-carbonitrile (PubChem CID 155731320) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is (3R)-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name(3R)-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)pyrrolidine-3-carbonitrile
PubChem CID155731320
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name(3R)-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)pyrrolidine-3-carbonitrile
SMILESN#C[C@@H]1CCN(C(=O)c2cccnc2-c2ccncn2)C1
InChIInChI=1S/C15H13N5O/c16-8-11-4-7-20(9-11)15(21)12-2-1-5-18-14(12)13-3-6-17-10-19-13/h1-3,5-6,10-11H,4,7,9H2/t11-/m0/s1
InChIKeyKIYDUXGEHCFHRY-NSHDSACASA-N
XLogP1.52
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopropylmethyl)-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
CID 155344075
(3R)-3-[(4-fluorophenyl)methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)pyrrolidine-3-carbonitrile
CID 155344140
[4-fluoro-4-(oxan-4-ylmethyl)piperidin-1-yl]-(2-pyrimidin-4-yl-3-pyridinyl)methanone
CID 163385929
1-(2-pyrimidin-4-ylpyridine-3-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carbonitrile
CID 155344042
4-[1-(3,5-difluorophenyl)ethyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
CID 155343826
1-(2-pyrimidin-4-ylpyridine-3-carbonyl)-4-[1-(2,4,6-trifluorophenyl)ethyl]piperidine-4-carbonitrile
CID 155343895
1-(2-pyrimidin-4-ylpyridine-3-carbonyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carbonitrile
CID 155343852
4-[(1S)-1-(4-fluorophenyl)ethyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[(1R)-1-(4-fluorophenyl)ethyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;4-[1-(4-fluorophenyl)ethyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;methane;methyl thiohypofluorite
CID 167691876
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carbonitrile
CID 81446161
1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile
CID 82829465
[4-fluoro-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]-(2-pyrimidin-4-yl-3-pyridinyl)methanone
CID 163385875
(2-methoxy-3-pyridinyl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124942438

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)pyrrolidine-3-carbonitrile?
The IUPAC name of (3R)-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)pyrrolidine-3-carbonitrile (CID 155731320) is (3R)-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)pyrrolidine-3-carbonitrile.
What is the SMILES notation for (3R)-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)pyrrolidine-3-carbonitrile?
The canonical SMILES for (3R)-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)pyrrolidine-3-carbonitrile is N#C[C@@H]1CCN(C(=O)c2cccnc2-c2ccncn2)C1.
What is the InChIKey of (3R)-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)pyrrolidine-3-carbonitrile?
The InChIKey is KIYDUXGEHCFHRY-NSHDSACASA-N. The full InChI is InChI=1S/C15H13N5O/c16-8-11-4-7-20(9-11)15(21)12-2-1-5-18-14(12)13-3-6-17-10-19-13/h1-3,5-6,10-11H,4,7,9H2/t11-/m0/s1.
What are the key properties of (3R)-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)pyrrolidine-3-carbonitrile?
(3R)-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)pyrrolidine-3-carbonitrile has a molecular weight of 279.30 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)pyrrolidine-3-carbonitrile is sourced from PubChem (CID 155731320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).