N-[(Z)-(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-4-carboxamide

C18H20N4O — CID 126068365

IUPACN-[(Z)-(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCc1cc(/C=N\NC(=O)c2ccncc2)ccc1N1CCCC1
InChIInChI=1S/C18H20N4O/c1-14-12-15(4-5-17(14)22-10-2-3-11-22)13-20-21-18(23)16-6-8-19-9-7-16/h4-9,12-13H,2-3,10-11H2,1H3,(H,21,23)/b20-13-
InChIKeyKZMVIICPGMJYRU-MOSHPQCFSA-N
MW308.39 g/mol
LogP2.75
Rot. Bonds4

About N-[(Z)-(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-4-carboxamide

N-[(Z)-(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 126068365) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[(Z)-(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID126068365
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-[(Z)-(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCc1cc(/C=N\NC(=O)c2ccncc2)ccc1N1CCCC1
InChIInChI=1S/C18H20N4O/c1-14-12-15(4-5-17(14)22-10-2-3-11-22)13-20-21-18(23)16-6-8-19-9-7-16/h4-9,12-13H,2-3,10-11H2,1H3,(H,21,23)/b20-13-
InChIKeyKZMVIICPGMJYRU-MOSHPQCFSA-N
XLogP2.75
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
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

N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 25251435
[(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]thiourea
CID 3375039
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690990
N-[(E)-(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 6880126
N-[(2-methyl-1,3-benzothiazol-6-yl)methylideneamino]pyridine-4-carboxamide
CID 687494
3,4-dichloro-N-[(Z)-(3-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide
CID 126072342
N-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 4836900
N-[(E)-(4-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 135478100
2-chloro-N-[(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 3387256
N-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 1000041
N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 5430549

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-4-carboxamide (CID 126068365) is N-[(Z)-(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-4-carboxamide is Cc1cc(/C=N\NC(=O)c2ccncc2)ccc1N1CCCC1.
What is the InChIKey of N-[(Z)-(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is KZMVIICPGMJYRU-MOSHPQCFSA-N. The full InChI is InChI=1S/C18H20N4O/c1-14-12-15(4-5-17(14)22-10-2-3-11-22)13-20-21-18(23)16-6-8-19-9-7-16/h4-9,12-13H,2-3,10-11H2,1H3,(H,21,23)/b20-13-.
What are the key properties of N-[(Z)-(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-4-carboxamide?
N-[(Z)-(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 126068365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).