N-(2-aminophenyl)-5-[[3-morpholin-4-ylpropyl(pyridin-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide

C26H31N7O3 — CID 25030537

IUPACN-(2-aminophenyl)-5-[[3-morpholin-4-ylpropyl(pyridin-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(CN(CCCN2CCOCC2)C(=O)Nc2cccnc2)cn1
InChIInChI=1S/C26H31N7O3/c27-22-6-1-2-7-23(22)31-25(34)24-9-8-20(17-29-24)19-33(12-4-11-32-13-15-36-16-14-32)26(35)30-21-5-3-10-28-18-21/h1-3,5-10,17-18H,4,11-16,19,27H2,(H,30,35)(H,31,34)
InChIKeySLKZXKAIHNFCQK-UHFFFAOYSA-N
MW489.58 g/mol
LogP3.07
Rot. Bonds9

About N-(2-aminophenyl)-5-[[3-morpholin-4-ylpropyl(pyridin-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide

N-(2-aminophenyl)-5-[[3-morpholin-4-ylpropyl(pyridin-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide (PubChem CID 25030537) has the molecular formula C26H31N7O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[[3-morpholin-4-ylpropyl(pyridin-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[[3-morpholin-4-ylpropyl(pyridin-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
PubChem CID25030537
Molecular FormulaC26H31N7O3
Molecular Weight489.58 g/mol
Exact Mass489.25
IUPAC NameN-(2-aminophenyl)-5-[[3-morpholin-4-ylpropyl(pyridin-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(CN(CCCN2CCOCC2)C(=O)Nc2cccnc2)cn1
InChIInChI=1S/C26H31N7O3/c27-22-6-1-2-7-23(22)31-25(34)24-9-8-20(17-29-24)19-33(12-4-11-32-13-15-36-16-14-32)26(35)30-21-5-3-10-28-18-21/h1-3,5-10,17-18H,4,11-16,19,27H2,(H,30,35)(H,31,34)
InChIKeySLKZXKAIHNFCQK-UHFFFAOYSA-N
XLogP3.07
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-[[(4-fluoro-3-methylphenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]methyl]pyridine-2-carboxamide
CID 59225094
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-[[(2-methoxyphenyl)carbamoyl-(5-morpholin-4-ylpentyl)amino]methyl]pyridine-2-carboxamide
CID 59225224
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-[2-[[5-[[3-morpholin-4-ylpropyl(pyridin-4-ylcarbamoyl)amino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate
CID 59224861
N-(2-aminophenyl)-5-[[1-(cyclopentylamino)ethenyl-(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carboxamide
CID 89124292
N-(2-aminophenyl)-5-[[3-morpholin-4-ylpropyl-[1-(phenacylamino)ethenyl]amino]methyl]pyridine-2-carboxamide
CID 89119886
N-(2-aminophenyl)-4-[[(4-aminophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]methyl]benzamide
CID 58000981
N-(2-aminophenyl)-5-[[1-(3,4-dimethoxyanilino)ethenyl-(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carboxamide
CID 89119876
N-(4-aminothiophen-3-yl)-5-[[3-morpholin-4-ylpropyl(3-phenylpropylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 70252323

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[[3-morpholin-4-ylpropyl(pyridin-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[[3-morpholin-4-ylpropyl(pyridin-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide (CID 25030537) is N-(2-aminophenyl)-5-[[3-morpholin-4-ylpropyl(pyridin-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[[3-morpholin-4-ylpropyl(pyridin-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[[3-morpholin-4-ylpropyl(pyridin-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide is Nc1ccccc1NC(=O)c1ccc(CN(CCCN2CCOCC2)C(=O)Nc2cccnc2)cn1.
What is the InChIKey of N-(2-aminophenyl)-5-[[3-morpholin-4-ylpropyl(pyridin-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide?
The InChIKey is SLKZXKAIHNFCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O3/c27-22-6-1-2-7-23(22)31-25(34)24-9-8-20(17-29-24)19-33(12-4-11-32-13-15-36-16-14-32)26(35)30-21-5-3-10-28-18-21/h1-3,5-10,17-18H,4,11-16,19,27H2,(H,30,35)(H,31,34).
What are the key properties of N-(2-aminophenyl)-5-[[3-morpholin-4-ylpropyl(pyridin-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide?
N-(2-aminophenyl)-5-[[3-morpholin-4-ylpropyl(pyridin-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide has a molecular weight of 489.58 g/mol, XLogP of 3.07, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-[[3-morpholin-4-ylpropyl(pyridin-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 25030537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).