N-[1-[(2-amino-1-cyclopropylethyl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]benzamide;dihydrochloride

C20H26Cl2N4O2 — CID 119613276

IUPACN-[1-[(2-amino-1-cyclopropylethyl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]benzamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)C(Cc1cccnc1)NC(=O)c1ccccc1)C1CC1
InChIInChI=1S/C20H24N4O2.2ClH/c21-12-18(15-8-9-15)24-20(26)17(11-14-5-4-10-22-13-14)23-19(25)16-6-2-1-3-7-16;;/h1-7,10,13,15,17-18H,8-9,11-12,21H2,(H,23,25)(H,24,26);2*1H
InChIKeyARXCWNPWRNFGDZ-UHFFFAOYSA-N
MW425.36 g/mol
LogP2.12
Rot. Bonds8

About N-[1-[(2-amino-1-cyclopropylethyl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]benzamide;dihydrochloride

N-[1-[(2-amino-1-cyclopropylethyl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]benzamide;dihydrochloride (PubChem CID 119613276) has the molecular formula C20H26Cl2N4O2 and a molecular weight of 425.36 g/mol. Its IUPAC name is N-[1-[(2-amino-1-cyclopropylethyl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-[(2-amino-1-cyclopropylethyl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]benzamide;dihydrochloride
PubChem CID119613276
Molecular FormulaC20H26Cl2N4O2
Molecular Weight425.36 g/mol
Exact Mass424.14
IUPAC NameN-[1-[(2-amino-1-cyclopropylethyl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]benzamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)C(Cc1cccnc1)NC(=O)c1ccccc1)C1CC1
InChIInChI=1S/C20H24N4O2.2ClH/c21-12-18(15-8-9-15)24-20(26)17(11-14-5-4-10-22-13-14)23-19(25)16-6-2-1-3-7-16;;/h1-7,10,13,15,17-18H,8-9,11-12,21H2,(H,23,25)(H,24,26);2*1H
InChIKeyARXCWNPWRNFGDZ-UHFFFAOYSA-N
XLogP2.12
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[(2-amino-1-cyclopropylethyl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]benzamide;dihydrochloride with MolForge

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Related Compounds

N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide
CID 2972339
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CID 119474703
N-(2-amino-1-cyclopentylethyl)pyridine-3-carboxamide
CID 106737538
N-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-pyridin-3-ylpropan-2-yl]benzamide;dihydrochloride
CID 119635385
N-[1-(1-aminohexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 119665124
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
CID 45371355
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 119626077
N-(2-amino-1-cyclopropylethyl)-2,2-diphenylacetamide;hydrochloride
CID 119616015
N-(1-amino-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63754512
N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 119483544
N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 71884193
N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
CID 42534610

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-amino-1-cyclopropylethyl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]benzamide;dihydrochloride?
The IUPAC name of N-[1-[(2-amino-1-cyclopropylethyl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]benzamide;dihydrochloride (CID 119613276) is N-[1-[(2-amino-1-cyclopropylethyl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]benzamide;dihydrochloride.
What is the SMILES notation for N-[1-[(2-amino-1-cyclopropylethyl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]benzamide;dihydrochloride?
The canonical SMILES for N-[1-[(2-amino-1-cyclopropylethyl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]benzamide;dihydrochloride is Cl.Cl.NCC(NC(=O)C(Cc1cccnc1)NC(=O)c1ccccc1)C1CC1.
What is the InChIKey of N-[1-[(2-amino-1-cyclopropylethyl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]benzamide;dihydrochloride?
The InChIKey is ARXCWNPWRNFGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2.2ClH/c21-12-18(15-8-9-15)24-20(26)17(11-14-5-4-10-22-13-14)23-19(25)16-6-2-1-3-7-16;;/h1-7,10,13,15,17-18H,8-9,11-12,21H2,(H,23,25)(H,24,26);2*1H.
What are the key properties of N-[1-[(2-amino-1-cyclopropylethyl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]benzamide;dihydrochloride?
N-[1-[(2-amino-1-cyclopropylethyl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]benzamide;dihydrochloride has a molecular weight of 425.36 g/mol, XLogP of 2.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-amino-1-cyclopropylethyl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]benzamide;dihydrochloride is sourced from PubChem (CID 119613276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).