N-(2-aminophenyl)-5-[[1-(cyclopentylamino)ethenyl-(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carboxamide

C28H40N6O2 — CID 89124292

IUPACN-(2-aminophenyl)-5-[[1-(cyclopentylamino)ethenyl-(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carboxamide
SMILESC=C(NC1CCCC1)N(CCCCN1CCOCC1)Cc1ccc(C(=O)Nc2ccccc2N)nc1
InChIInChI=1S/C28H40N6O2/c1-22(31-24-8-2-3-9-24)34(15-7-6-14-33-16-18-36-19-17-33)21-23-12-13-27(30-20-23)28(35)32-26-11-5-4-10-25(26)29/h4-5,10-13,20,24,31H,1-3,6-9,14-19,21,29H2,(H,32,35)
InChIKeyRWNKNGNJULZWBL-UHFFFAOYSA-N
MW492.67 g/mol
LogP3.83
Rot. Bonds12

About N-(2-aminophenyl)-5-[[1-(cyclopentylamino)ethenyl-(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carboxamide

N-(2-aminophenyl)-5-[[1-(cyclopentylamino)ethenyl-(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carboxamide (PubChem CID 89124292) has the molecular formula C28H40N6O2 and a molecular weight of 492.67 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[[1-(cyclopentylamino)ethenyl-(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[[1-(cyclopentylamino)ethenyl-(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carboxamide
PubChem CID89124292
Molecular FormulaC28H40N6O2
Molecular Weight492.67 g/mol
Exact Mass492.32
IUPAC NameN-(2-aminophenyl)-5-[[1-(cyclopentylamino)ethenyl-(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carboxamide
SMILESC=C(NC1CCCC1)N(CCCCN1CCOCC1)Cc1ccc(C(=O)Nc2ccccc2N)nc1
InChIInChI=1S/C28H40N6O2/c1-22(31-24-8-2-3-9-24)34(15-7-6-14-33-16-18-36-19-17-33)21-23-12-13-27(30-20-23)28(35)32-26-11-5-4-10-25(26)29/h4-5,10-13,20,24,31H,1-3,6-9,14-19,21,29H2,(H,32,35)
InChIKeyRWNKNGNJULZWBL-UHFFFAOYSA-N
XLogP3.83
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.67
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-5-[[3-morpholin-4-ylpropyl-[1-(phenacylamino)ethenyl]amino]methyl]pyridine-2-carboxamide
CID 89119886
N-(2-aminophenyl)-5-[[1-(3,4-dimethoxyanilino)ethenyl-(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carboxamide
CID 89119876
N-(2-aminophenyl)-5-[[(2-methoxyphenyl)carbamoyl-(5-morpholin-4-ylpentyl)amino]methyl]pyridine-2-carboxamide
CID 59225224
tert-butyl N-[2-[[5-[[cyclopentylcarbamoyl(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate
CID 59224985
N-(2-aminophenyl)-5-[[[(E)-but-2-en-2-yl]carbamoyl-(3-morpholin-4-ylpropyl)amino]methyl]pyridine-2-carboxamide
CID 145488672
N-(2-aminophenyl)-5-[[3-morpholin-4-ylpropyl(pyridin-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 25030537
N-(2-aminophenyl)-5-[[3-morpholin-4-ylpropyl(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 59224973
N-(2-aminophenyl)-5-[[1-(pyridin-3-ylamino)ethenyl-(3-pyrrolidin-1-ylpropyl)amino]methyl]pyridine-2-carboxamide
CID 89124441
N-(2-aminophenyl)-5-[[[(Z)-1-aminoprop-1-enyl]-[3-(4-methylpiperidin-1-yl)propyl]amino]methyl]pyridine-2-carboxamide
CID 89119900
N-(2-aminophenyl)-5-[[(4-fluoro-3-methylphenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]methyl]pyridine-2-carboxamide
CID 59225094
N-(2-aminophenyl)-5-[[[(Z)-1-(3-fluoroanilino)prop-1-enyl]-(3-morpholin-4-ylpropyl)amino]methyl]pyridine-2-carboxamide
CID 89119874
tert-butyl N-[4-[[5-[[cyclopentylcarbamoyl(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carbonyl]amino]thiophen-3-yl]carbamate
CID 67054334

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[[1-(cyclopentylamino)ethenyl-(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[[1-(cyclopentylamino)ethenyl-(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carboxamide (CID 89124292) is N-(2-aminophenyl)-5-[[1-(cyclopentylamino)ethenyl-(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[[1-(cyclopentylamino)ethenyl-(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[[1-(cyclopentylamino)ethenyl-(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carboxamide is C=C(NC1CCCC1)N(CCCCN1CCOCC1)Cc1ccc(C(=O)Nc2ccccc2N)nc1.
What is the InChIKey of N-(2-aminophenyl)-5-[[1-(cyclopentylamino)ethenyl-(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carboxamide?
The InChIKey is RWNKNGNJULZWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N6O2/c1-22(31-24-8-2-3-9-24)34(15-7-6-14-33-16-18-36-19-17-33)21-23-12-13-27(30-20-23)28(35)32-26-11-5-4-10-25(26)29/h4-5,10-13,20,24,31H,1-3,6-9,14-19,21,29H2,(H,32,35).
What are the key properties of N-(2-aminophenyl)-5-[[1-(cyclopentylamino)ethenyl-(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carboxamide?
N-(2-aminophenyl)-5-[[1-(cyclopentylamino)ethenyl-(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carboxamide has a molecular weight of 492.67 g/mol, XLogP of 3.83, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-[[1-(cyclopentylamino)ethenyl-(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 89124292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).