N-butan-2-yl-5-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C17H21N3O — CID 50980220

IUPACN-butan-2-yl-5-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCCC(C)N(Cc1cccnc1)C(=O)c1cncc(C)c1
InChIInChI=1S/C17H21N3O/c1-4-14(3)20(12-15-6-5-7-18-10-15)17(21)16-8-13(2)9-19-11-16/h5-11,14H,4,12H2,1-3H3
InChIKeyCNZSFIXRCULWBR-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.23
Rot. Bonds5

About N-butan-2-yl-5-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

N-butan-2-yl-5-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 50980220) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-butan-2-yl-5-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID50980220
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-butan-2-yl-5-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCCC(C)N(Cc1cccnc1)C(=O)c1cncc(C)c1
InChIInChI=1S/C17H21N3O/c1-4-14(3)20(12-15-6-5-7-18-10-15)17(21)16-8-13(2)9-19-11-16/h5-11,14H,4,12H2,1-3H3
InChIKeyCNZSFIXRCULWBR-UHFFFAOYSA-N
XLogP3.23
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796391
1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105122781
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
3-(chloromethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60948704
3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55820021
(2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
CID 61174279
N-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360894
4-[[butan-2-yl(pyridin-3-ylmethyl)amino]methyl]benzoic acid
CID 46988991
5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60556699
3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60557001
2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 54873763
3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55818997

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 50980220) is N-butan-2-yl-5-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is CCC(C)N(Cc1cccnc1)C(=O)c1cncc(C)c1.
What is the InChIKey of N-butan-2-yl-5-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is CNZSFIXRCULWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-14(3)20(12-15-6-5-7-18-10-15)17(21)16-8-13(2)9-19-11-16/h5-11,14H,4,12H2,1-3H3.
What are the key properties of N-butan-2-yl-5-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
N-butan-2-yl-5-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 50980220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).