6-cyano-N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]pyridine-3-carboxamide

C18H20N4O — CID 124844888

IUPAC6-cyano-N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]pyridine-3-carboxamide
SMILESCC(C)(C)C[C@H](NC(=O)c1ccc(C#N)nc1)c1cccnc1
InChIInChI=1S/C18H20N4O/c1-18(2,3)9-16(13-5-4-8-20-11-13)22-17(23)14-6-7-15(10-19)21-12-14/h4-8,11-12,16H,9H2,1-3H3,(H,22,23)/t16-/m0/s1
InChIKeyHARHZZATLMMDDA-INIZCTEOSA-N
MW308.39 g/mol
LogP3.26
Rot. Bonds4

About 6-cyano-N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]pyridine-3-carboxamide

6-cyano-N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]pyridine-3-carboxamide (PubChem CID 124844888) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 6-cyano-N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]pyridine-3-carboxamide
PubChem CID124844888
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name6-cyano-N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]pyridine-3-carboxamide
SMILESCC(C)(C)C[C@H](NC(=O)c1ccc(C#N)nc1)c1cccnc1
InChIInChI=1S/C18H20N4O/c1-18(2,3)9-16(13-5-4-8-20-11-13)22-17(23)14-6-7-15(10-19)21-12-14/h4-8,11-12,16H,9H2,1-3H3,(H,22,23)/t16-/m0/s1
InChIKeyHARHZZATLMMDDA-INIZCTEOSA-N
XLogP3.26
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyano-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 91840095
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 122572746
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-(6-oxo-1H-pyrazin-2-yl)benzamide
CID 122559172
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131902711
4-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]amino]-N-propan-2-ylpyridine-2-carboxamide
CID 95721377
N-[cyano(pyridin-3-yl)methyl]pyridine-3-carboxamide
CID 82117028
3-(3,3-dimethyl-1-pyridin-3-ylbutyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 122568421
3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide
CID 91796729
2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide
CID 91778729
6-fluoro-N-(1-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 63971799
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 91834910
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide
CID 135110911

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]pyridine-3-carboxamide?
The IUPAC name of 6-cyano-N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]pyridine-3-carboxamide (CID 124844888) is 6-cyano-N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyano-N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]pyridine-3-carboxamide?
The canonical SMILES for 6-cyano-N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]pyridine-3-carboxamide is CC(C)(C)C[C@H](NC(=O)c1ccc(C#N)nc1)c1cccnc1.
What is the InChIKey of 6-cyano-N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]pyridine-3-carboxamide?
The InChIKey is HARHZZATLMMDDA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N4O/c1-18(2,3)9-16(13-5-4-8-20-11-13)22-17(23)14-6-7-15(10-19)21-12-14/h4-8,11-12,16H,9H2,1-3H3,(H,22,23)/t16-/m0/s1.
What are the key properties of 6-cyano-N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]pyridine-3-carboxamide?
6-cyano-N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]pyridine-3-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]pyridine-3-carboxamide is sourced from PubChem (CID 124844888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).