4-[(E)-C-methyl-N-[[5-(2-methylpropanoyl)-2-pyridinyl]amino]carbonimidoyl]-N-propylbenzamide

C21H26N4O2 — CID 144842855

IUPAC4-[(E)-C-methyl-N-[[5-(2-methylpropanoyl)-2-pyridinyl]amino]carbonimidoyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(/C(C)=N/Nc2ccc(C(=O)C(C)C)cn2)cc1
InChIInChI=1S/C21H26N4O2/c1-5-12-22-21(27)17-8-6-16(7-9-17)15(4)24-25-19-11-10-18(13-23-19)20(26)14(2)3/h6-11,13-14H,5,12H2,1-4H3,(H,22,27)(H,23,25)/b24-15+
InChIKeyRWVXRAMSVXHQAP-BUVRLJJBSA-N
MW366.47 g/mol
LogP3.90
Rot. Bonds8

About 4-[(E)-C-methyl-N-[[5-(2-methylpropanoyl)-2-pyridinyl]amino]carbonimidoyl]-N-propylbenzamide

4-[(E)-C-methyl-N-[[5-(2-methylpropanoyl)-2-pyridinyl]amino]carbonimidoyl]-N-propylbenzamide (PubChem CID 144842855) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-[(E)-C-methyl-N-[[5-(2-methylpropanoyl)-2-pyridinyl]amino]carbonimidoyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-[(E)-C-methyl-N-[[5-(2-methylpropanoyl)-2-pyridinyl]amino]carbonimidoyl]-N-propylbenzamide
PubChem CID144842855
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name4-[(E)-C-methyl-N-[[5-(2-methylpropanoyl)-2-pyridinyl]amino]carbonimidoyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(/C(C)=N/Nc2ccc(C(=O)C(C)C)cn2)cc1
InChIInChI=1S/C21H26N4O2/c1-5-12-22-21(27)17-8-6-16(7-9-17)15(4)24-25-19-11-10-18(13-23-19)20(26)14(2)3/h6-11,13-14H,5,12H2,1-4H3,(H,22,27)(H,23,25)/b24-15+
InChIKeyRWVXRAMSVXHQAP-BUVRLJJBSA-N
XLogP3.90
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

6-(1-methylsulfanylpropan-2-ylamino)-N-propylpyridine-3-carboxamide
CID 133311932
N-(6-hydroxyhexyl)-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide
CID 89063545
ethane;2-methyl-1-[6-(2-sulfanylethylamino)-3-pyridinyl]propan-1-one
CID 143284305
N-[1-oxo-1-(propylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide
CID 62178002
N-(2-methylbutyl)-6-(propylamino)pyridine-3-carboxamide
CID 62693585
6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109151240
N-heptyl-6-[2-[[4-(hexylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide
CID 118332905
6-[2-(2,4-difluorophenyl)ethylamino]-N-propylpyridine-3-carboxamide
CID 133302604
N-[2-(tert-butylamino)-2-oxoethyl]-6-(propylamino)pyridine-3-carboxamide
CID 115357188
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243
4-[methyl(propan-2-yl)amino]-N-propylbenzamide
CID 91434039
6-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-propylpyridine-3-carboxamide
CID 133477603

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-C-methyl-N-[[5-(2-methylpropanoyl)-2-pyridinyl]amino]carbonimidoyl]-N-propylbenzamide?
The IUPAC name of 4-[(E)-C-methyl-N-[[5-(2-methylpropanoyl)-2-pyridinyl]amino]carbonimidoyl]-N-propylbenzamide (CID 144842855) is 4-[(E)-C-methyl-N-[[5-(2-methylpropanoyl)-2-pyridinyl]amino]carbonimidoyl]-N-propylbenzamide.
What is the SMILES notation for 4-[(E)-C-methyl-N-[[5-(2-methylpropanoyl)-2-pyridinyl]amino]carbonimidoyl]-N-propylbenzamide?
The canonical SMILES for 4-[(E)-C-methyl-N-[[5-(2-methylpropanoyl)-2-pyridinyl]amino]carbonimidoyl]-N-propylbenzamide is CCCNC(=O)c1ccc(/C(C)=N/Nc2ccc(C(=O)C(C)C)cn2)cc1.
What is the InChIKey of 4-[(E)-C-methyl-N-[[5-(2-methylpropanoyl)-2-pyridinyl]amino]carbonimidoyl]-N-propylbenzamide?
The InChIKey is RWVXRAMSVXHQAP-BUVRLJJBSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-5-12-22-21(27)17-8-6-16(7-9-17)15(4)24-25-19-11-10-18(13-23-19)20(26)14(2)3/h6-11,13-14H,5,12H2,1-4H3,(H,22,27)(H,23,25)/b24-15+.
What are the key properties of 4-[(E)-C-methyl-N-[[5-(2-methylpropanoyl)-2-pyridinyl]amino]carbonimidoyl]-N-propylbenzamide?
4-[(E)-C-methyl-N-[[5-(2-methylpropanoyl)-2-pyridinyl]amino]carbonimidoyl]-N-propylbenzamide has a molecular weight of 366.47 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-C-methyl-N-[[5-(2-methylpropanoyl)-2-pyridinyl]amino]carbonimidoyl]-N-propylbenzamide is sourced from PubChem (CID 144842855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).