N-[1-[(4-aminocyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride

C21H28Cl2N4O2 — CID 119474703

IUPACN-[1-[(4-aminocyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(NC(=O)C(Cc2ccccc2)NC(=O)c2cccnc2)CC1
InChIInChI=1S/C21H26N4O2.2ClH/c22-17-8-10-18(11-9-17)24-21(27)19(13-15-5-2-1-3-6-15)25-20(26)16-7-4-12-23-14-16;;/h1-7,12,14,17-19H,8-11,13,22H2,(H,24,27)(H,25,26);2*1H
InChIKeyFJEQYIDLRMLNNV-UHFFFAOYSA-N
MW439.39 g/mol
LogP2.65
Rot. Bonds6

About N-[1-[(4-aminocyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride

N-[1-[(4-aminocyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 119474703) has the molecular formula C21H28Cl2N4O2 and a molecular weight of 439.39 g/mol. Its IUPAC name is N-[1-[(4-aminocyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-[(4-aminocyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
PubChem CID119474703
Molecular FormulaC21H28Cl2N4O2
Molecular Weight439.39 g/mol
Exact Mass438.16
IUPAC NameN-[1-[(4-aminocyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(NC(=O)C(Cc2ccccc2)NC(=O)c2cccnc2)CC1
InChIInChI=1S/C21H26N4O2.2ClH/c22-17-8-10-18(11-9-17)24-21(27)19(13-15-5-2-1-3-6-15)25-20(26)16-7-4-12-23-14-16;;/h1-7,12,14,17-19H,8-11,13,22H2,(H,24,27)(H,25,26);2*1H
InChIKeyFJEQYIDLRMLNNV-UHFFFAOYSA-N
XLogP2.65
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.39
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[(4-aminocyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride with MolForge

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Related Compounds

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CID 119626077
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CID 119429792
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CID 119613276
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CID 119665124
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide
CID 2972339
N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 71884193
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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-aminocyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[1-[(4-aminocyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride (CID 119474703) is N-[1-[(4-aminocyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-[(4-aminocyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-[(4-aminocyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride is Cl.Cl.NC1CCC(NC(=O)C(Cc2ccccc2)NC(=O)c2cccnc2)CC1.
What is the InChIKey of N-[1-[(4-aminocyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is FJEQYIDLRMLNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2.2ClH/c22-17-8-10-18(11-9-17)24-21(27)19(13-15-5-2-1-3-6-15)25-20(26)16-7-4-12-23-14-16;;/h1-7,12,14,17-19H,8-11,13,22H2,(H,24,27)(H,25,26);2*1H.
What are the key properties of N-[1-[(4-aminocyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride?
N-[1-[(4-aminocyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 439.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-aminocyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119474703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).