N-butyl-6-cyano-N-(furan-2-ylmethyl)pyridine-3-carboxamide

C16H17N3O2 — CID 50985062

IUPACN-butyl-6-cyano-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESCCCCN(Cc1ccco1)C(=O)c1ccc(C#N)nc1
InChIInChI=1S/C16H17N3O2/c1-2-3-8-19(12-15-5-4-9-21-15)16(20)13-6-7-14(10-17)18-11-13/h4-7,9,11H,2-3,8,12H2,1H3
InChIKeyQKZKOUCEQGRMLE-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.99
Rot. Bonds6

About N-butyl-6-cyano-N-(furan-2-ylmethyl)pyridine-3-carboxamide

N-butyl-6-cyano-N-(furan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 50985062) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-butyl-6-cyano-N-(furan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-cyano-N-(furan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID50985062
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-butyl-6-cyano-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESCCCCN(Cc1ccco1)C(=O)c1ccc(C#N)nc1
InChIInChI=1S/C16H17N3O2/c1-2-3-8-19(12-15-5-4-9-21-15)16(20)13-6-7-14(10-17)18-11-13/h4-7,9,11H,2-3,8,12H2,1H3
InChIKeyQKZKOUCEQGRMLE-UHFFFAOYSA-N
XLogP2.99
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 46987628
6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 60738011
4-butoxy-N-(furan-2-ylmethyl)-N-(2-phenylethyl)benzamide
CID 42773272
5-[furan-2-ylmethyl(methyl)amino]pyridine-2-carbonitrile
CID 79840143
N-butyl-N-(furan-2-ylmethyl)-4-[(5-methyltetrazol-1-yl)methyl]benzamide
CID 46986640
N-butyl-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 20923929
4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60519774
3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60654625
6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 115602451
N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
CID 4518534
3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 103908367
N-benzyl-N-(furan-2-ylmethyl)-6-methoxypyridine-3-carboxamide
CID 34907486

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-cyano-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-butyl-6-cyano-N-(furan-2-ylmethyl)pyridine-3-carboxamide (CID 50985062) is N-butyl-6-cyano-N-(furan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-6-cyano-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-butyl-6-cyano-N-(furan-2-ylmethyl)pyridine-3-carboxamide is CCCCN(Cc1ccco1)C(=O)c1ccc(C#N)nc1.
What is the InChIKey of N-butyl-6-cyano-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is QKZKOUCEQGRMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-3-8-19(12-15-5-4-9-21-15)16(20)13-6-7-14(10-17)18-11-13/h4-7,9,11H,2-3,8,12H2,1H3.
What are the key properties of N-butyl-6-cyano-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
N-butyl-6-cyano-N-(furan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-cyano-N-(furan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 50985062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).