5-cyano-4-methyl-N-[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]pyridine-2-carboxamide

C18H17N3O2 — CID 167750989

IUPAC5-cyano-4-methyl-N-[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]pyridine-2-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2C[C@@H](C)Oc3ccccc32)ncc1C#N
InChIInChI=1S/C18H17N3O2/c1-11-7-16(20-10-13(11)9-19)18(22)21-15-8-12(2)23-17-6-4-3-5-14(15)17/h3-7,10,12,15H,8H2,1-2H3,(H,21,22)/t12-,15-/m1/s1
InChIKeyAPFOLUIADYFKRE-IUODEOHRSA-N
MW307.35 g/mol
LogP2.90
Rot. Bonds2

About 5-cyano-4-methyl-N-[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]pyridine-2-carboxamide

5-cyano-4-methyl-N-[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]pyridine-2-carboxamide (PubChem CID 167750989) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-cyano-4-methyl-N-[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-4-methyl-N-[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]pyridine-2-carboxamide
PubChem CID167750989
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name5-cyano-4-methyl-N-[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]pyridine-2-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2C[C@@H](C)Oc3ccccc32)ncc1C#N
InChIInChI=1S/C18H17N3O2/c1-11-7-16(20-10-13(11)9-19)18(22)21-15-8-12(2)23-17-6-4-3-5-14(15)17/h3-7,10,12,15H,8H2,1-2H3,(H,21,22)/t12-,15-/m1/s1
InChIKeyAPFOLUIADYFKRE-IUODEOHRSA-N
XLogP2.90
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyano-4-methyl-N-[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[4-[[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]carbamoyl]phenoxy]acetate
CID 136582428
5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2-carboxamide
CID 63719488
5-cyano-N-[1-(2-fluorophenyl)cyclobutyl]-4-methylpyridine-2-carboxamide
CID 146092931
(2R,4R)-2-methyl-4-(sulfamoylamino)-3,4-dihydro-2H-chromene
CID 165409978
N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-4,5-dimethylpyridine-2-carboxamide
CID 136564096
2-methyl-3-[(2S,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]imidazole-4-carboxylic acid
CID 70378669
5-cyano-N-[(3R,4S)-3-fluoro-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-4-methylpyridine-2-carboxamide
CID 135360361
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide
CID 136533274
N-(3,4-dihydro-2H-chromen-4-yl)-5-(methylamino)pyrazine-2-carboxamide
CID 107375415
2-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 122360387
6-(difluoromethyl)-N-[3-(2-methylphenyl)cyclobutyl]pyrimidine-4-carboxamide
CID 146139892
2-methyl-3-[(2S,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]imidazole-4-carboxylic acid;nitric acid
CID 70378668

Frequently Asked Questions

What is the IUPAC name of 5-cyano-4-methyl-N-[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-4-methyl-N-[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]pyridine-2-carboxamide (CID 167750989) is 5-cyano-4-methyl-N-[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-4-methyl-N-[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-4-methyl-N-[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]pyridine-2-carboxamide is Cc1cc(C(=O)N[C@@H]2C[C@@H](C)Oc3ccccc32)ncc1C#N.
What is the InChIKey of 5-cyano-4-methyl-N-[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]pyridine-2-carboxamide?
The InChIKey is APFOLUIADYFKRE-IUODEOHRSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-7-16(20-10-13(11)9-19)18(22)21-15-8-12(2)23-17-6-4-3-5-14(15)17/h3-7,10,12,15H,8H2,1-2H3,(H,21,22)/t12-,15-/m1/s1.
What are the key properties of 5-cyano-4-methyl-N-[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]pyridine-2-carboxamide?
5-cyano-4-methyl-N-[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]pyridine-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-4-methyl-N-[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 167750989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).