4-[(1-aminocyclohexanecarbonyl)amino]-N-pyridin-3-ylbenzamide;dihydrochloride

C19H24Cl2N4O2 — CID 119844802

IUPAC4-[(1-aminocyclohexanecarbonyl)amino]-N-pyridin-3-ylbenzamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)CCCCC1
InChIInChI=1S/C19H22N4O2.2ClH/c20-19(10-2-1-3-11-19)18(25)23-15-8-6-14(7-9-15)17(24)22-16-5-4-12-21-13-16;;/h4-9,12-13H,1-3,10-11,20H2,(H,22,24)(H,23,25);2*1H
InChIKeyHTUFJSYYINQECP-UHFFFAOYSA-N
MW411.33 g/mol
LogP3.78
Rot. Bonds4

About 4-[(1-aminocyclohexanecarbonyl)amino]-N-pyridin-3-ylbenzamide;dihydrochloride

4-[(1-aminocyclohexanecarbonyl)amino]-N-pyridin-3-ylbenzamide;dihydrochloride (PubChem CID 119844802) has the molecular formula C19H24Cl2N4O2 and a molecular weight of 411.33 g/mol. Its IUPAC name is 4-[(1-aminocyclohexanecarbonyl)amino]-N-pyridin-3-ylbenzamide;dihydrochloride.

Molecular Properties

Compound Name4-[(1-aminocyclohexanecarbonyl)amino]-N-pyridin-3-ylbenzamide;dihydrochloride
PubChem CID119844802
Molecular FormulaC19H24Cl2N4O2
Molecular Weight411.33 g/mol
Exact Mass410.13
IUPAC Name4-[(1-aminocyclohexanecarbonyl)amino]-N-pyridin-3-ylbenzamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)CCCCC1
InChIInChI=1S/C19H22N4O2.2ClH/c20-19(10-2-1-3-11-19)18(25)23-15-8-6-14(7-9-15)17(24)22-16-5-4-12-21-13-16;;/h4-9,12-13H,1-3,10-11,20H2,(H,22,24)(H,23,25);2*1H
InChIKeyHTUFJSYYINQECP-UHFFFAOYSA-N
XLogP3.78
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-aminocyclopentanecarbonyl)amino]-N-pyridin-3-ylbenzamide
CID 119844785
4-(carbamoylamino)-N-pyridin-3-ylbenzamide
CID 13387851
1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride
CID 119827128
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572
4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide
CID 119864752
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942
4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide
CID 39890660
1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119864481
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclohexanecarbonyl)amino]-N-pyridin-3-ylbenzamide;dihydrochloride?
The IUPAC name of 4-[(1-aminocyclohexanecarbonyl)amino]-N-pyridin-3-ylbenzamide;dihydrochloride (CID 119844802) is 4-[(1-aminocyclohexanecarbonyl)amino]-N-pyridin-3-ylbenzamide;dihydrochloride.
What is the SMILES notation for 4-[(1-aminocyclohexanecarbonyl)amino]-N-pyridin-3-ylbenzamide;dihydrochloride?
The canonical SMILES for 4-[(1-aminocyclohexanecarbonyl)amino]-N-pyridin-3-ylbenzamide;dihydrochloride is Cl.Cl.NC1(C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)CCCCC1.
What is the InChIKey of 4-[(1-aminocyclohexanecarbonyl)amino]-N-pyridin-3-ylbenzamide;dihydrochloride?
The InChIKey is HTUFJSYYINQECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2.2ClH/c20-19(10-2-1-3-11-19)18(25)23-15-8-6-14(7-9-15)17(24)22-16-5-4-12-21-13-16;;/h4-9,12-13H,1-3,10-11,20H2,(H,22,24)(H,23,25);2*1H.
What are the key properties of 4-[(1-aminocyclohexanecarbonyl)amino]-N-pyridin-3-ylbenzamide;dihydrochloride?
4-[(1-aminocyclohexanecarbonyl)amino]-N-pyridin-3-ylbenzamide;dihydrochloride has a molecular weight of 411.33 g/mol, XLogP of 3.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclohexanecarbonyl)amino]-N-pyridin-3-ylbenzamide;dihydrochloride is sourced from PubChem (CID 119844802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).