N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide

C19H25N3O2 — CID 123482849

IUPACN-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
SMILESCC(C)CC(C#N)NC(=O)c1nc(OCC2CC2)ccc1C1CC1
InChIInChI=1S/C19H25N3O2/c1-12(2)9-15(10-20)21-19(23)18-16(14-5-6-14)7-8-17(22-18)24-11-13-3-4-13/h7-8,12-15H,3-6,9,11H2,1-2H3,(H,21,23)
InChIKeyMUMAURVQVUDZRJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.42
Rot. Bonds8

About N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide

N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide (PubChem CID 123482849) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
PubChem CID123482849
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
SMILESCC(C)CC(C#N)NC(=O)c1nc(OCC2CC2)ccc1C1CC1
InChIInChI=1S/C19H25N3O2/c1-12(2)9-15(10-20)21-19(23)18-16(14-5-6-14)7-8-17(22-18)24-11-13-3-4-13/h7-8,12-15H,3-6,9,11H2,1-2H3,(H,21,23)
InChIKeyMUMAURVQVUDZRJ-UHFFFAOYSA-N
XLogP3.42
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-amino-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
CID 123270184
3-cyclopropyl-6-(cyclopropylmethoxy)-N-[2-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)propan-2-yl]pyridine-2-carboxamide
CID 123693087
methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate
CID 71087876
[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 121347234
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]pyridine-2-carboxamide
CID 71087382
methyl (2S)-3-cyclopropyl-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]propanoate
CID 71087544
N-(1-cyano-3-methylbutyl)-2-(4-methoxyphenyl)acetamide
CID 112511596
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]pyridine-2-carboxamide
CID 71105647
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 78010149
N-[(2S)-1-[4-[[6-(cyclopropylmethoxy)-2-fluoro-3-pyridinyl]methoxy]cyclohexyl]oxypropan-2-yl]acetamide
CID 151266250
3-(cyclopropylamino)-6-(cyclopropylmethoxy)-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide
CID 123273372
3-chloro-6-(cyclopropylmethoxy)pyridine-2-carbonitrile
CID 47002221

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
The IUPAC name of N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide (CID 123482849) is N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide is CC(C)CC(C#N)NC(=O)c1nc(OCC2CC2)ccc1C1CC1.
What is the InChIKey of N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
The InChIKey is MUMAURVQVUDZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12(2)9-15(10-20)21-19(23)18-16(14-5-6-14)7-8-17(22-18)24-11-13-3-4-13/h7-8,12-15H,3-6,9,11H2,1-2H3,(H,21,23).
What are the key properties of N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 123482849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).