N-(cyanomethyl)-3-hydroxy-N-propylpyridine-4-carboxamide

C11H13N3O2 — CID 81446513

IUPACN-(cyanomethyl)-3-hydroxy-N-propylpyridine-4-carboxamide
SMILESCCCN(CC#N)C(=O)c1ccncc1O
InChIInChI=1S/C11H13N3O2/c1-2-6-14(7-4-12)11(16)9-3-5-13-8-10(9)15/h3,5,8,15H,2,6-7H2,1H3
InChIKeyRJHMQECIUIQVPU-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.16
Rot. Bonds4

About N-(cyanomethyl)-3-hydroxy-N-propylpyridine-4-carboxamide

N-(cyanomethyl)-3-hydroxy-N-propylpyridine-4-carboxamide (PubChem CID 81446513) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(cyanomethyl)-3-hydroxy-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-3-hydroxy-N-propylpyridine-4-carboxamide
PubChem CID81446513
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-(cyanomethyl)-3-hydroxy-N-propylpyridine-4-carboxamide
SMILESCCCN(CC#N)C(=O)c1ccncc1O
InChIInChI=1S/C11H13N3O2/c1-2-6-14(7-4-12)11(16)9-3-5-13-8-10(9)15/h3,5,8,15H,2,6-7H2,1H3
InChIKeyRJHMQECIUIQVPU-UHFFFAOYSA-N
XLogP1.16
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-3-hydroxy-N-propylpyridine-4-carboxamide
CID 81445579
N-(cyanomethyl)-N-ethyl-3-methoxypyridine-4-carboxamide
CID 105063443
2-chloro-N-(cyanomethyl)-5-hydroxy-N-propylbenzamide
CID 106500989
N-(cyanomethyl)-4-hydroxy-2-methyl-N-propylbenzamide
CID 113341373
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 81443183
N-(4-aminophenyl)-3-hydroxy-N-propylpyridine-4-carboxamide
CID 81446026
3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
CID 66463826
methyl 2-[(3-hydroxypyridine-4-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 81443513
N,N-bis(cyclopropylmethyl)-3-hydroxypyridine-4-carboxamide
CID 81443103
3-hydroxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 81443489
4-chloro-N-(cyanomethyl)-2-fluoro-N-propylbenzamide
CID 61227255

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-3-hydroxy-N-propylpyridine-4-carboxamide?
The IUPAC name of N-(cyanomethyl)-3-hydroxy-N-propylpyridine-4-carboxamide (CID 81446513) is N-(cyanomethyl)-3-hydroxy-N-propylpyridine-4-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-3-hydroxy-N-propylpyridine-4-carboxamide?
The canonical SMILES for N-(cyanomethyl)-3-hydroxy-N-propylpyridine-4-carboxamide is CCCN(CC#N)C(=O)c1ccncc1O.
What is the InChIKey of N-(cyanomethyl)-3-hydroxy-N-propylpyridine-4-carboxamide?
The InChIKey is RJHMQECIUIQVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-6-14(7-4-12)11(16)9-3-5-13-8-10(9)15/h3,5,8,15H,2,6-7H2,1H3.
What are the key properties of N-(cyanomethyl)-3-hydroxy-N-propylpyridine-4-carboxamide?
N-(cyanomethyl)-3-hydroxy-N-propylpyridine-4-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-3-hydroxy-N-propylpyridine-4-carboxamide is sourced from PubChem (CID 81446513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).