3-cyano-N-[4-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]amino]-3-pyridinyl]benzamide

C19H20N4O2 — CID 95771980

IUPAC3-cyano-N-[4-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]amino]-3-pyridinyl]benzamide
SMILESC[C@H](Nc1ccncc1NC(=O)c1cccc(C#N)c1)[C@H]1CCCO1
InChIInChI=1S/C19H20N4O2/c1-13(18-6-3-9-25-18)22-16-7-8-21-12-17(16)23-19(24)15-5-2-4-14(10-15)11-20/h2,4-5,7-8,10,12-13,18H,3,6,9H2,1H3,(H,21,22)(H,23,24)/t13-,18+/m0/s1
InChIKeyGYJCOVJODHCIOA-SCLBCKFNSA-N
MW336.40 g/mol
LogP3.18
Rot. Bonds5

About 3-cyano-N-[4-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]amino]-3-pyridinyl]benzamide

3-cyano-N-[4-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]amino]-3-pyridinyl]benzamide (PubChem CID 95771980) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-cyano-N-[4-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]amino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[4-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]amino]-3-pyridinyl]benzamide
PubChem CID95771980
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-cyano-N-[4-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]amino]-3-pyridinyl]benzamide
SMILESC[C@H](Nc1ccncc1NC(=O)c1cccc(C#N)c1)[C@H]1CCCO1
InChIInChI=1S/C19H20N4O2/c1-13(18-6-3-9-25-18)22-16-7-8-21-12-17(16)23-19(24)15-5-2-4-14(10-15)11-20/h2,4-5,7-8,10,12-13,18H,3,6,9H2,1H3,(H,21,22)(H,23,24)/t13-,18+/m0/s1
InChIKeyGYJCOVJODHCIOA-SCLBCKFNSA-N
XLogP3.18
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-(1-methylpyrazol-4-yl)-N-[4-[1-(oxolan-2-yl)ethylamino]-3-pyridinyl]prop-2-enamide
CID 75533555
3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 42950380
3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide
CID 51547056
3-cyano-N-[(1R)-1-cyclopropylethyl]benzamide
CID 51547055
3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 24709345
3-cyano-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide
CID 53163530
3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide
CID 95633182
3-cyano-N-(2-methyloxolan-3-yl)benzamide
CID 82728473
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyanobenzamide
CID 66210943
3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145778
N-[2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 95160272
3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide
CID 24961543

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]amino]-3-pyridinyl]benzamide?
The IUPAC name of 3-cyano-N-[4-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]amino]-3-pyridinyl]benzamide (CID 95771980) is 3-cyano-N-[4-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]amino]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-cyano-N-[4-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]amino]-3-pyridinyl]benzamide?
The canonical SMILES for 3-cyano-N-[4-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]amino]-3-pyridinyl]benzamide is C[C@H](Nc1ccncc1NC(=O)c1cccc(C#N)c1)[C@H]1CCCO1.
What is the InChIKey of 3-cyano-N-[4-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]amino]-3-pyridinyl]benzamide?
The InChIKey is GYJCOVJODHCIOA-SCLBCKFNSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(18-6-3-9-25-18)22-16-7-8-21-12-17(16)23-19(24)15-5-2-4-14(10-15)11-20/h2,4-5,7-8,10,12-13,18H,3,6,9H2,1H3,(H,21,22)(H,23,24)/t13-,18+/m0/s1.
What are the key properties of 3-cyano-N-[4-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]amino]-3-pyridinyl]benzamide?
3-cyano-N-[4-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]amino]-3-pyridinyl]benzamide has a molecular weight of 336.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]amino]-3-pyridinyl]benzamide is sourced from PubChem (CID 95771980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).