N-(3-aminopropyl)-N-[[3-[4-(4-methylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)phenyl]phenyl]methyl]morpholine-4-carboxamide

C32H41N7O3 — CID 23736360

IUPACN-(3-aminopropyl)-N-[[3-[4-(4-methylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)phenyl]phenyl]methyl]morpholine-4-carboxamide
SMILESCN1CCN(c2ccc(-c3cccc(CN(CCCN)C(=O)N4CCOCC4)c3)cc2NC(=O)c2cccnc2)CC1
InChIInChI=1S/C32H41N7O3/c1-36-13-15-37(16-14-36)30-9-8-27(22-29(30)35-31(40)28-7-3-11-34-23-28)26-6-2-5-25(21-26)24-39(12-4-10-33)32(41)38-17-19-42-20-18-38/h2-3,5-9,11,21-23H,4,10,12-20,24,33H2,1H3,(H,35,40)
InChIKeyBLAPEUSSQJDDPQ-UHFFFAOYSA-N
MW571.73 g/mol
LogP3.36
Rot. Bonds9

About N-(3-aminopropyl)-N-[[3-[4-(4-methylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)phenyl]phenyl]methyl]morpholine-4-carboxamide

N-(3-aminopropyl)-N-[[3-[4-(4-methylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)phenyl]phenyl]methyl]morpholine-4-carboxamide (PubChem CID 23736360) has the molecular formula C32H41N7O3 and a molecular weight of 571.73 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[[3-[4-(4-methylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)phenyl]phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[[3-[4-(4-methylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)phenyl]phenyl]methyl]morpholine-4-carboxamide
PubChem CID23736360
Molecular FormulaC32H41N7O3
Molecular Weight571.73 g/mol
Exact Mass571.33
IUPAC NameN-(3-aminopropyl)-N-[[3-[4-(4-methylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)phenyl]phenyl]methyl]morpholine-4-carboxamide
SMILESCN1CCN(c2ccc(-c3cccc(CN(CCCN)C(=O)N4CCOCC4)c3)cc2NC(=O)c2cccnc2)CC1
InChIInChI=1S/C32H41N7O3/c1-36-13-15-37(16-14-36)30-9-8-27(22-29(30)35-31(40)28-7-3-11-34-23-28)26-6-2-5-25(21-26)24-39(12-4-10-33)32(41)38-17-19-42-20-18-38/h2-3,5-9,11,21-23H,4,10,12-20,24,33H2,1H3,(H,35,40)
InChIKeyBLAPEUSSQJDDPQ-UHFFFAOYSA-N
XLogP3.36
TPSA107.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.73
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3-aminopropyl)-N-[[3-[4-(4-methylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)phenyl]phenyl]methyl]morpholine-4-carboxamide with MolForge

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Related Compounds

N-(3-aminopropyl)-N-[[3-[3-(1,3-benzodioxole-5-carbonylamino)-4-pyrrolidin-1-ylphenyl]phenyl]methyl]morpholine-4-carboxamide
CID 23938543
N-(3-aminopropyl)-N-[[3-[3-(3,3-dimethylbutanoylamino)-4-pyrrolidin-1-ylphenyl]phenyl]methyl]pyridine-3-carboxamide
CID 23795021
N-[5-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-2-(4-methylpiperidin-1-yl)phenyl]morpholine-4-carboxamide
CID 23965841
N-[5-[3-[[(4-aminocyclohexyl)-(3,4-dimethoxybenzoyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]pyridine-3-carboxamide
CID 23828203
N-(3-aminopropyl)-N-[[3-[3-(3,3-dimethylbutanoylamino)-4-(4-methylpiperazin-1-yl)phenyl]phenyl]methyl]cyclopropanecarboxamide
CID 23798980
N-(3-aminopropyl)-N-[[3-[3-amino-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]pyridine-3-carboxamide
CID 23818663
3-[[3-[3-[(6-chloropyridine-3-carbonyl)amino]-4-morpholin-4-ylphenyl]phenyl]methyl-(cyclopropanecarbonyl)amino]propanoic acid
CID 23877915
3-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)-[[3-[4-morpholin-4-yl-3-(pyridine-4-carbonylamino)phenyl]phenyl]methyl]amino]propanoic acid
CID 23857058
N-(5-methoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 6473397
N-(3-aminopropyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 79160812
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 1081261
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 91675846

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[[3-[4-(4-methylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)phenyl]phenyl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-[[3-[4-(4-methylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)phenyl]phenyl]methyl]morpholine-4-carboxamide (CID 23736360) is N-(3-aminopropyl)-N-[[3-[4-(4-methylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)phenyl]phenyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[[3-[4-(4-methylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)phenyl]phenyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-[[3-[4-(4-methylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)phenyl]phenyl]methyl]morpholine-4-carboxamide is CN1CCN(c2ccc(-c3cccc(CN(CCCN)C(=O)N4CCOCC4)c3)cc2NC(=O)c2cccnc2)CC1.
What is the InChIKey of N-(3-aminopropyl)-N-[[3-[4-(4-methylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)phenyl]phenyl]methyl]morpholine-4-carboxamide?
The InChIKey is BLAPEUSSQJDDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N7O3/c1-36-13-15-37(16-14-36)30-9-8-27(22-29(30)35-31(40)28-7-3-11-34-23-28)26-6-2-5-25(21-26)24-39(12-4-10-33)32(41)38-17-19-42-20-18-38/h2-3,5-9,11,21-23H,4,10,12-20,24,33H2,1H3,(H,35,40).
What are the key properties of N-(3-aminopropyl)-N-[[3-[4-(4-methylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)phenyl]phenyl]methyl]morpholine-4-carboxamide?
N-(3-aminopropyl)-N-[[3-[4-(4-methylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)phenyl]phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 571.73 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[[3-[4-(4-methylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)phenyl]phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 23736360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).