N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylquinoline-4-carboxamide

C19H18N4O3 — CID 135735428

IUPACN-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2c(CO)cnc(C)c2O)c2ccccc2n1
InChIInChI=1S/C19H18N4O3/c1-11-7-15(14-5-3-4-6-17(14)22-11)19(26)23-21-9-16-13(10-24)8-20-12(2)18(16)25/h3-9,24-25H,10H2,1-2H3,(H,23,26)/b21-9+
InChIKeyQHCQQNZVSHRZPN-ZVBGSRNCSA-N
MW350.38 g/mol
LogP2.21
Rot. Bonds4

About N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylquinoline-4-carboxamide

N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylquinoline-4-carboxamide (PubChem CID 135735428) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylquinoline-4-carboxamide
PubChem CID135735428
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2c(CO)cnc(C)c2O)c2ccccc2n1
InChIInChI=1S/C19H18N4O3/c1-11-7-15(14-5-3-4-6-17(14)22-11)19(26)23-21-9-16-13(10-24)8-20-12(2)18(16)25/h3-9,24-25H,10H2,1-2H3,(H,23,26)/b21-9+
InChIKeyQHCQQNZVSHRZPN-ZVBGSRNCSA-N
XLogP2.21
TPSA107.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylquinoline-4-carboxamide (CID 135735428) is N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)N/N=C/c2c(CO)cnc(C)c2O)c2ccccc2n1.
What is the InChIKey of N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylquinoline-4-carboxamide?
The InChIKey is QHCQQNZVSHRZPN-ZVBGSRNCSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-11-7-15(14-5-3-4-6-17(14)22-11)19(26)23-21-9-16-13(10-24)8-20-12(2)18(16)25/h3-9,24-25H,10H2,1-2H3,(H,23,26)/b21-9+.
What are the key properties of N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylquinoline-4-carboxamide?
N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylquinoline-4-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 135735428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).