N-[4-[(cycloheptylideneamino)carbamoyl]phenyl]pyridine-2-carboxamide

C20H22N4O2 — CID 156598002

IUPACN-[4-[(cycloheptylideneamino)carbamoyl]phenyl]pyridine-2-carboxamide
SMILESO=C(NN=C1CCCCCC1)c1ccc(NC(=O)c2ccccn2)cc1
InChIInChI=1S/C20H22N4O2/c25-19(24-23-17-7-3-1-2-4-8-17)15-10-12-16(13-11-15)22-20(26)18-9-5-6-14-21-18/h5-6,9-14H,1-4,7-8H2,(H,22,26)(H,24,25)
InChIKeyJUKZYDCHBQCTMF-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.77
Rot. Bonds4

About N-[4-[(cycloheptylideneamino)carbamoyl]phenyl]pyridine-2-carboxamide

N-[4-[(cycloheptylideneamino)carbamoyl]phenyl]pyridine-2-carboxamide (PubChem CID 156598002) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[4-[(cycloheptylideneamino)carbamoyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(cycloheptylideneamino)carbamoyl]phenyl]pyridine-2-carboxamide
PubChem CID156598002
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[4-[(cycloheptylideneamino)carbamoyl]phenyl]pyridine-2-carboxamide
SMILESO=C(NN=C1CCCCCC1)c1ccc(NC(=O)c2ccccn2)cc1
InChIInChI=1S/C20H22N4O2/c25-19(24-23-17-7-3-1-2-4-8-17)15-10-12-16(13-11-15)22-20(26)18-9-5-6-14-21-18/h5-6,9-14H,1-4,7-8H2,(H,22,26)(H,24,25)
InChIKeyJUKZYDCHBQCTMF-UHFFFAOYSA-N
XLogP3.77
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-acetamido-N-(cyclohexylideneamino)benzamide
CID 4510356
N-(cyclohexylideneamino)-4-(2-cyclohexylidenehydrazinyl)benzamide
CID 5074578
N-(cyclododecylideneamino)benzamide
CID 4147051
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
N-(cyclohexylideneamino)pyridine-4-carboxamide
CID 27256
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 46489538
N-(4-benzoylphenyl)pyridine-2-carboxamide
CID 157248993
N-(cyclopentylideneamino)-4-(propanoylamino)benzamide
CID 910224
4-(butanoylamino)-N-(cyclohexylideneamino)benzamide
CID 913662
N-[4-(methylsulfonylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 146154862
N-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide
CID 4225123
N-(cycloheptylideneamino)pyridine-3-carboxamide
CID 4131498

Frequently Asked Questions

What is the IUPAC name of N-[4-[(cycloheptylideneamino)carbamoyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[(cycloheptylideneamino)carbamoyl]phenyl]pyridine-2-carboxamide (CID 156598002) is N-[4-[(cycloheptylideneamino)carbamoyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(cycloheptylideneamino)carbamoyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(cycloheptylideneamino)carbamoyl]phenyl]pyridine-2-carboxamide is O=C(NN=C1CCCCCC1)c1ccc(NC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[4-[(cycloheptylideneamino)carbamoyl]phenyl]pyridine-2-carboxamide?
The InChIKey is JUKZYDCHBQCTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-19(24-23-17-7-3-1-2-4-8-17)15-10-12-16(13-11-15)22-20(26)18-9-5-6-14-21-18/h5-6,9-14H,1-4,7-8H2,(H,22,26)(H,24,25).
What are the key properties of N-[4-[(cycloheptylideneamino)carbamoyl]phenyl]pyridine-2-carboxamide?
N-[4-[(cycloheptylideneamino)carbamoyl]phenyl]pyridine-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(cycloheptylideneamino)carbamoyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 156598002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).