N-[1-[[(E)-1-amino-3-methyliminoprop-1-en-2-yl]amino]-3-cyclopentyl-1-oxopropan-2-yl]-3-pyridin-3-yloxybenzamide

C24H29N5O3 — CID 178157902

IUPACN-[1-[[(E)-1-amino-3-methyliminoprop-1-en-2-yl]amino]-3-cyclopentyl-1-oxopropan-2-yl]-3-pyridin-3-yloxybenzamide
SMILESC/N=C/C(=C\N)NC(=O)C(CC1CCCC1)NC(=O)c1cccc(Oc2cccnc2)c1
InChIInChI=1S/C24H29N5O3/c1-26-15-19(14-25)28-24(31)22(12-17-6-2-3-7-17)29-23(30)18-8-4-9-20(13-18)32-21-10-5-11-27-16-21/h4-5,8-11,13-17,22H,2-3,6-7,12,25H2,1H3,(H,28,31)(H,29,30)/b19-14+,26-15+
InChIKeyZFJISOGZXPIMHF-PNAHMVSWSA-N
MW435.53 g/mol
LogP3.17
Rot. Bonds9

About N-[1-[[(E)-1-amino-3-methyliminoprop-1-en-2-yl]amino]-3-cyclopentyl-1-oxopropan-2-yl]-3-pyridin-3-yloxybenzamide

N-[1-[[(E)-1-amino-3-methyliminoprop-1-en-2-yl]amino]-3-cyclopentyl-1-oxopropan-2-yl]-3-pyridin-3-yloxybenzamide (PubChem CID 178157902) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[1-[[(E)-1-amino-3-methyliminoprop-1-en-2-yl]amino]-3-cyclopentyl-1-oxopropan-2-yl]-3-pyridin-3-yloxybenzamide.

Molecular Properties

Compound NameN-[1-[[(E)-1-amino-3-methyliminoprop-1-en-2-yl]amino]-3-cyclopentyl-1-oxopropan-2-yl]-3-pyridin-3-yloxybenzamide
PubChem CID178157902
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-[1-[[(E)-1-amino-3-methyliminoprop-1-en-2-yl]amino]-3-cyclopentyl-1-oxopropan-2-yl]-3-pyridin-3-yloxybenzamide
SMILESC/N=C/C(=C\N)NC(=O)C(CC1CCCC1)NC(=O)c1cccc(Oc2cccnc2)c1
InChIInChI=1S/C24H29N5O3/c1-26-15-19(14-25)28-24(31)22(12-17-6-2-3-7-17)29-23(30)18-8-4-9-20(13-18)32-21-10-5-11-27-16-21/h4-5,8-11,13-17,22H,2-3,6-7,12,25H2,1H3,(H,28,31)(H,29,30)/b19-14+,26-15+
InChIKeyZFJISOGZXPIMHF-PNAHMVSWSA-N
XLogP3.17
TPSA118.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-[[(Z,2R)-4-amino-3-(methyliminomethyl)but-3-en-2-yl]amino]-3-cyclopentyl-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide;molecular hydrogen
CID 178157990
N-[(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 87849842
3-[(3-chloro-4-pyridinyl)amino]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]benzamide
CID 178157543
N-[3-cyclopentyl-1-oxo-1-(pyrimidin-5-ylamino)propan-2-yl]-3-(pyridin-4-ylamino)benzamide
CID 178157713
N-[3-cyclohexyl-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]-3-phenylbenzamide
CID 74078104
N-[(2S)-3-cyclohexyl-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]-3-phenylbenzamide
CID 23648334
N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide
CID 178157559
methyl (2R)-2-[(3-aminobenzoyl)amino]-3-cyclohexylpropanoate
CID 91059874
N-[(2S)-3-cyclohexyl-1-oxo-1-[2-[4-(trifluoromethoxy)anilino]ethylamino]propan-2-yl]-3-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide
CID 21055492
N-(2-amino-1-cyclopropylethyl)-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 86813863
N-[(2S)-3-cyclohexyl-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]-3-(dimethylamino)benzamide
CID 11374748
N-[(2S)-3-cyclohexyl-1-oxo-1-[2-[4-(trifluoromethoxy)anilino]ethylamino]propan-2-yl]-3-(3-methoxyphenyl)benzamide
CID 11180766

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(E)-1-amino-3-methyliminoprop-1-en-2-yl]amino]-3-cyclopentyl-1-oxopropan-2-yl]-3-pyridin-3-yloxybenzamide?
The IUPAC name of N-[1-[[(E)-1-amino-3-methyliminoprop-1-en-2-yl]amino]-3-cyclopentyl-1-oxopropan-2-yl]-3-pyridin-3-yloxybenzamide (CID 178157902) is N-[1-[[(E)-1-amino-3-methyliminoprop-1-en-2-yl]amino]-3-cyclopentyl-1-oxopropan-2-yl]-3-pyridin-3-yloxybenzamide.
What is the SMILES notation for N-[1-[[(E)-1-amino-3-methyliminoprop-1-en-2-yl]amino]-3-cyclopentyl-1-oxopropan-2-yl]-3-pyridin-3-yloxybenzamide?
The canonical SMILES for N-[1-[[(E)-1-amino-3-methyliminoprop-1-en-2-yl]amino]-3-cyclopentyl-1-oxopropan-2-yl]-3-pyridin-3-yloxybenzamide is C/N=C/C(=C\N)NC(=O)C(CC1CCCC1)NC(=O)c1cccc(Oc2cccnc2)c1.
What is the InChIKey of N-[1-[[(E)-1-amino-3-methyliminoprop-1-en-2-yl]amino]-3-cyclopentyl-1-oxopropan-2-yl]-3-pyridin-3-yloxybenzamide?
The InChIKey is ZFJISOGZXPIMHF-PNAHMVSWSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-26-15-19(14-25)28-24(31)22(12-17-6-2-3-7-17)29-23(30)18-8-4-9-20(13-18)32-21-10-5-11-27-16-21/h4-5,8-11,13-17,22H,2-3,6-7,12,25H2,1H3,(H,28,31)(H,29,30)/b19-14+,26-15+.
What are the key properties of N-[1-[[(E)-1-amino-3-methyliminoprop-1-en-2-yl]amino]-3-cyclopentyl-1-oxopropan-2-yl]-3-pyridin-3-yloxybenzamide?
N-[1-[[(E)-1-amino-3-methyliminoprop-1-en-2-yl]amino]-3-cyclopentyl-1-oxopropan-2-yl]-3-pyridin-3-yloxybenzamide has a molecular weight of 435.53 g/mol, XLogP of 3.17, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(E)-1-amino-3-methyliminoprop-1-en-2-yl]amino]-3-cyclopentyl-1-oxopropan-2-yl]-3-pyridin-3-yloxybenzamide is sourced from PubChem (CID 178157902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).