N-[4-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride

C20H26Cl2N4O3 — CID 120799443

IUPACN-[4-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1)C1CCOCC1
InChIInChI=1S/C20H24N4O3.2ClH/c21-18(15-7-10-27-11-8-15)20(26)23-12-14-3-5-17(6-4-14)24-19(25)16-2-1-9-22-13-16;;/h1-6,9,13,15,18H,7-8,10-12,21H2,(H,23,26)(H,24,25);2*1H
InChIKeyQKEOWNKBVSPXJL-UHFFFAOYSA-N
MW441.36 g/mol
LogP2.55
Rot. Bonds6

About N-[4-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride

N-[4-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 120799443) has the molecular formula C20H26Cl2N4O3 and a molecular weight of 441.36 g/mol. Its IUPAC name is N-[4-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
PubChem CID120799443
Molecular FormulaC20H26Cl2N4O3
Molecular Weight441.36 g/mol
Exact Mass440.14
IUPAC NameN-[4-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1)C1CCOCC1
InChIInChI=1S/C20H24N4O3.2ClH/c21-18(15-7-10-27-11-8-15)20(26)23-12-14-3-5-17(6-4-14)24-19(25)16-2-1-9-22-13-16;;/h1-6,9,13,15,18H,7-8,10-12,21H2,(H,23,26)(H,24,25);2*1H
InChIKeyQKEOWNKBVSPXJL-UHFFFAOYSA-N
XLogP2.55
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.36
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide;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
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide
CID 120792716
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]benzamide
CID 120786924
N-[4-[[(3-aminocyclopentanecarbonyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119870450
2-amino-2-(oxan-4-yl)-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]acetamide;dihydrochloride
CID 120799757
N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 119870453
N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504
N-[4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119870444
N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119870472
N-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925705
2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 91918211

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[4-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride (CID 120799443) is N-[4-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride is Cl.Cl.NC(C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1)C1CCOCC1.
What is the InChIKey of N-[4-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is QKEOWNKBVSPXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3.2ClH/c21-18(15-7-10-27-11-8-15)20(26)23-12-14-3-5-17(6-4-14)24-19(25)16-2-1-9-22-13-16;;/h1-6,9,13,15,18H,7-8,10-12,21H2,(H,23,26)(H,24,25);2*1H.
What are the key properties of N-[4-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride?
N-[4-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 441.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120799443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).