1-[7-[1-amino-3-[3-(dimethylamino)-2,2-dimethylpropyl]iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea

C24H35N7O — CID 144521311

IUPAC1-[7-[1-amino-3-[3-(dimethylamino)-2,2-dimethylpropyl]iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
SMILESCN(C)CC(C)(C)C/N=C/C(=CN)c1cnc2ccc(NC(=O)NC3CCCC3)nc2c1
InChIInChI=1S/C24H35N7O/c1-24(2,16-31(3)4)15-26-13-18(12-25)17-11-21-20(27-14-17)9-10-22(29-21)30-23(32)28-19-7-5-6-8-19/h9-14,19H,5-8,15-16,25H2,1-4H3,(H2,28,29,30,32)/b18-12?,26-13+
InChIKeyOQJFBFKMZOEIQB-MZKAVISMSA-N
MW437.59 g/mol
LogP3.65
Rot. Bonds8

About 1-[7-[1-amino-3-[3-(dimethylamino)-2,2-dimethylpropyl]iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea

1-[7-[1-amino-3-[3-(dimethylamino)-2,2-dimethylpropyl]iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea (PubChem CID 144521311) has the molecular formula C24H35N7O and a molecular weight of 437.59 g/mol. Its IUPAC name is 1-[7-[1-amino-3-[3-(dimethylamino)-2,2-dimethylpropyl]iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[7-[1-amino-3-[3-(dimethylamino)-2,2-dimethylpropyl]iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
PubChem CID144521311
Molecular FormulaC24H35N7O
Molecular Weight437.59 g/mol
Exact Mass437.29
IUPAC Name1-[7-[1-amino-3-[3-(dimethylamino)-2,2-dimethylpropyl]iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
SMILESCN(C)CC(C)(C)C/N=C/C(=CN)c1cnc2ccc(NC(=O)NC3CCCC3)nc2c1
InChIInChI=1S/C24H35N7O/c1-24(2,16-31(3)4)15-26-13-18(12-25)17-11-21-20(27-14-17)9-10-22(29-21)30-23(32)28-19-7-5-6-8-19/h9-14,19H,5-8,15-16,25H2,1-4H3,(H2,28,29,30,32)/b18-12?,26-13+
InChIKeyOQJFBFKMZOEIQB-MZKAVISMSA-N
XLogP3.65
TPSA108.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 53.65
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

1-[7-[1-amino-3-[2-[bis(2-methoxyethyl)amino]ethylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
CID 163526328
tert-butyl 4-[2-[[3-amino-2-[6-(cyclopentylcarbamothioylamino)-1,5-naphthyridin-3-yl]prop-2-enylidene]amino]ethyl]piperazine-1-carboxylate
CID 144521313
1-[7-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-(cyclopentylmethyl)urea
CID 144521336
1-[6-(cyclopentylcarbamoylamino)-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
CID 90166377
1-cyclopentyl-3-[7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,5-naphthyridin-2-yl]urea
CID 90164320
2-[[3-amino-2-(6-chloro-1,5-naphthyridin-3-yl)prop-2-enylidene]amino]-N,N-dimethylacetamide
CID 144665730
1-cyclopentyl-3-[7-(2-oxo-1H-pyridin-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164218
1-cyclopentyl-3-[7-[1-(3-hydroxypropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea
CID 71249446
1-cyclopentyl-3-[7-[4-hydroxy-3-(2-methoxyethoxy)phenyl]-1,5-naphthyridin-2-yl]urea
CID 136628684
1-[7-[2-(azetidin-3-ylmethyl)-3,4-dihydropyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
CID 71249459
1-cyclopentyl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea
CID 21404741
1-[7-[1-(azetidin-3-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
CID 71249335

Frequently Asked Questions

What is the IUPAC name of 1-[7-[1-amino-3-[3-(dimethylamino)-2,2-dimethylpropyl]iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea?
The IUPAC name of 1-[7-[1-amino-3-[3-(dimethylamino)-2,2-dimethylpropyl]iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea (CID 144521311) is 1-[7-[1-amino-3-[3-(dimethylamino)-2,2-dimethylpropyl]iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea.
What is the SMILES notation for 1-[7-[1-amino-3-[3-(dimethylamino)-2,2-dimethylpropyl]iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea?
The canonical SMILES for 1-[7-[1-amino-3-[3-(dimethylamino)-2,2-dimethylpropyl]iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea is CN(C)CC(C)(C)C/N=C/C(=CN)c1cnc2ccc(NC(=O)NC3CCCC3)nc2c1.
What is the InChIKey of 1-[7-[1-amino-3-[3-(dimethylamino)-2,2-dimethylpropyl]iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea?
The InChIKey is OQJFBFKMZOEIQB-MZKAVISMSA-N. The full InChI is InChI=1S/C24H35N7O/c1-24(2,16-31(3)4)15-26-13-18(12-25)17-11-21-20(27-14-17)9-10-22(29-21)30-23(32)28-19-7-5-6-8-19/h9-14,19H,5-8,15-16,25H2,1-4H3,(H2,28,29,30,32)/b18-12?,26-13+.
What are the key properties of 1-[7-[1-amino-3-[3-(dimethylamino)-2,2-dimethylpropyl]iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea?
1-[7-[1-amino-3-[3-(dimethylamino)-2,2-dimethylpropyl]iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea has a molecular weight of 437.59 g/mol, XLogP of 3.65, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[1-amino-3-[3-(dimethylamino)-2,2-dimethylpropyl]iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea is sourced from PubChem (CID 144521311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).