N-[(Z)-[(2R)-2-phenylbutylidene]amino]pyridine-2-carboxamide

C16H17N3O — CID 40537943

IUPACN-[(Z)-[(2R)-2-phenylbutylidene]amino]pyridine-2-carboxamide
SMILESCC[C@@H](/C=N\NC(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C16H17N3O/c1-2-13(14-8-4-3-5-9-14)12-18-19-16(20)15-10-6-7-11-17-15/h3-13H,2H2,1H3,(H,19,20)/b18-12-/t13-/m0/s1
InChIKeyOZGALYBSZABYMJ-CYUIRQCWSA-N
MW267.33 g/mol
LogP2.99
Rot. Bonds5

About N-[(Z)-[(2R)-2-phenylbutylidene]amino]pyridine-2-carboxamide

N-[(Z)-[(2R)-2-phenylbutylidene]amino]pyridine-2-carboxamide (PubChem CID 40537943) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(Z)-[(2R)-2-phenylbutylidene]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(2R)-2-phenylbutylidene]amino]pyridine-2-carboxamide
PubChem CID40537943
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[(Z)-[(2R)-2-phenylbutylidene]amino]pyridine-2-carboxamide
SMILESCC[C@@H](/C=N\NC(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C16H17N3O/c1-2-13(14-8-4-3-5-9-14)12-18-19-16(20)15-10-6-7-11-17-15/h3-13H,2H2,1H3,(H,19,20)/b18-12-/t13-/m0/s1
InChIKeyOZGALYBSZABYMJ-CYUIRQCWSA-N
XLogP2.99
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 5305559
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CID 174940489
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CID 142936010
2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid
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N-[(2-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847584
N-[(2R)-2-phenylpropyl]pyridine-2-carboxamide
CID 9302014
N-[(Z)-(3-ethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 40618803
N-[2-(diethylamino)-2-phenylethyl]pyridine-2-carboxamide
CID 42917068
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide
CID 135504405
acetic acid;N-ethylpyridine-2-carboxamide
CID 174901243
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
N-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide
CID 47007723

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(2R)-2-phenylbutylidene]amino]pyridine-2-carboxamide?
The IUPAC name of N-[(Z)-[(2R)-2-phenylbutylidene]amino]pyridine-2-carboxamide (CID 40537943) is N-[(Z)-[(2R)-2-phenylbutylidene]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(Z)-[(2R)-2-phenylbutylidene]amino]pyridine-2-carboxamide?
The canonical SMILES for N-[(Z)-[(2R)-2-phenylbutylidene]amino]pyridine-2-carboxamide is CC[C@@H](/C=N\NC(=O)c1ccccn1)c1ccccc1.
What is the InChIKey of N-[(Z)-[(2R)-2-phenylbutylidene]amino]pyridine-2-carboxamide?
The InChIKey is OZGALYBSZABYMJ-CYUIRQCWSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-13(14-8-4-3-5-9-14)12-18-19-16(20)15-10-6-7-11-17-15/h3-13H,2H2,1H3,(H,19,20)/b18-12-/t13-/m0/s1.
What are the key properties of N-[(Z)-[(2R)-2-phenylbutylidene]amino]pyridine-2-carboxamide?
N-[(Z)-[(2R)-2-phenylbutylidene]amino]pyridine-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2R)-2-phenylbutylidene]amino]pyridine-2-carboxamide is sourced from PubChem (CID 40537943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).