N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide

C16H14N4O — CID 135421558

IUPACN-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide
SMILESCc1[nH]c2ccccc2c1/C=N/NC(=O)c1cccnc1
InChIInChI=1S/C16H14N4O/c1-11-14(13-6-2-3-7-15(13)19-11)10-18-20-16(21)12-5-4-8-17-9-12/h2-10,19H,1H3,(H,20,21)/b18-10+
InChIKeyUXLGYVGDTYIWAH-VCHYOVAHSA-N
MW278.31 g/mol
LogP2.64
Rot. Bonds3

About N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide

N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide (PubChem CID 135421558) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide
PubChem CID135421558
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide
SMILESCc1[nH]c2ccccc2c1/C=N/NC(=O)c1cccnc1
InChIInChI=1S/C16H14N4O/c1-11-14(13-6-2-3-7-15(13)19-11)10-18-20-16(21)12-5-4-8-17-9-12/h2-10,19H,1H3,(H,20,21)/b18-10+
InChIKeyUXLGYVGDTYIWAH-VCHYOVAHSA-N
XLogP2.64
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.64
H-Bond Donors ≤ 52
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

3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 136852030
3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135403084
N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2325178
N-[(E)-[2-(3-acetamidophenyl)-1H-indol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 155807222
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 136852027
N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]pyridine-3-carboxamide
CID 136919029
N-[(E)-1H-benzimidazol-2-ylmethylideneamino]pyridine-3-carboxamide
CID 135403106
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide
CID 136727560
3-hydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 135490389
3-(1H-indol-3-yl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135954578
3-iodo-4-methoxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135931425
2,4-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135421610

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide (CID 135421558) is N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide is Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cccnc1.
What is the InChIKey of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is UXLGYVGDTYIWAH-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11-14(13-6-2-3-7-15(13)19-11)10-18-20-16(21)12-5-4-8-17-9-12/h2-10,19H,1H3,(H,20,21)/b18-10+.
What are the key properties of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide?
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 135421558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).