2-amino-2-(oxan-4-yl)-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]acetamide;dihydrochloride

C20H27Cl2N5O3 — CID 120799757

IUPAC2-amino-2-(oxan-4-yl)-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)Nc1cccc(NC(=O)NCc2ccncc2)c1)C1CCOCC1
InChIInChI=1S/C20H25N5O3.2ClH/c21-18(15-6-10-28-11-7-15)19(26)24-16-2-1-3-17(12-16)25-20(27)23-13-14-4-8-22-9-5-14;;/h1-5,8-9,12,15,18H,6-7,10-11,13,21H2,(H,24,26)(H2,23,25,27);2*1H
InChIKeyDJPUSTJKSLQUKJ-UHFFFAOYSA-N
MW456.37 g/mol
LogP2.94
Rot. Bonds6

About 2-amino-2-(oxan-4-yl)-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]acetamide;dihydrochloride

2-amino-2-(oxan-4-yl)-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]acetamide;dihydrochloride (PubChem CID 120799757) has the molecular formula C20H27Cl2N5O3 and a molecular weight of 456.37 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]acetamide;dihydrochloride
PubChem CID120799757
Molecular FormulaC20H27Cl2N5O3
Molecular Weight456.37 g/mol
Exact Mass455.15
IUPAC Name2-amino-2-(oxan-4-yl)-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)Nc1cccc(NC(=O)NCc2ccncc2)c1)C1CCOCC1
InChIInChI=1S/C20H25N5O3.2ClH/c21-18(15-6-10-28-11-7-15)19(26)24-16-2-1-3-17(12-16)25-20(27)23-13-14-4-8-22-9-5-14;;/h1-5,8-9,12,15,18H,6-7,10-11,13,21H2,(H,24,26)(H2,23,25,27);2*1H
InChIKeyDJPUSTJKSLQUKJ-UHFFFAOYSA-N
XLogP2.94
TPSA118.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.37
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-amino-2-(oxan-4-yl)-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]acetamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 120798865
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
3-amino-2-methyl-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]butanamide;dihydrochloride
CID 120503652
2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783163
2-amino-2-(oxan-4-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride
CID 120799505
2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
CID 120782718
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide
CID 120792716
N-[4-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 120799443
2-amino-2-(oxan-4-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide;hydrochloride
CID 120785975
3-amino-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119874592

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]acetamide;dihydrochloride (CID 120799757) is 2-amino-2-(oxan-4-yl)-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]acetamide;dihydrochloride is Cl.Cl.NC(C(=O)Nc1cccc(NC(=O)NCc2ccncc2)c1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]acetamide;dihydrochloride?
The InChIKey is DJPUSTJKSLQUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3.2ClH/c21-18(15-6-10-28-11-7-15)19(26)24-16-2-1-3-17(12-16)25-20(27)23-13-14-4-8-22-9-5-14;;/h1-5,8-9,12,15,18H,6-7,10-11,13,21H2,(H,24,26)(H2,23,25,27);2*1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]acetamide;dihydrochloride?
2-amino-2-(oxan-4-yl)-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]acetamide;dihydrochloride has a molecular weight of 456.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 120799757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).