N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride

C18H22Cl2N4O2 — CID 119886989

IUPACN-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride
SMILESCN(C(=O)c1ccncc1)c1ccc(CNC(=O)C2(N)CC2)cc1.Cl.Cl
InChIInChI=1S/C18H20N4O2.2ClH/c1-22(16(23)14-6-10-20-11-7-14)15-4-2-13(3-5-15)12-21-17(24)18(19)8-9-18;;/h2-7,10-11H,8-9,12,19H2,1H3,(H,21,24);2*1H
InChIKeyYWFZXWDNRNAFPH-UHFFFAOYSA-N
MW397.31 g/mol
LogP2.31
Rot. Bonds5

About N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride

N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride (PubChem CID 119886989) has the molecular formula C18H22Cl2N4O2 and a molecular weight of 397.31 g/mol. Its IUPAC name is N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride
PubChem CID119886989
Molecular FormulaC18H22Cl2N4O2
Molecular Weight397.31 g/mol
Exact Mass396.11
IUPAC NameN-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride
SMILESCN(C(=O)c1ccncc1)c1ccc(CNC(=O)C2(N)CC2)cc1.Cl.Cl
InChIInChI=1S/C18H20N4O2.2ClH/c1-22(16(23)14-6-10-20-11-7-14)15-4-2-13(3-5-15)12-21-17(24)18(19)8-9-18;;/h2-7,10-11H,8-9,12,19H2,1H3,(H,21,24);2*1H
InChIKeyYWFZXWDNRNAFPH-UHFFFAOYSA-N
XLogP2.31
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119887019
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CID 119887003
1-amino-N-[[4-(dimethylamino)phenyl]methyl]cyclobutane-1-carboxamide
CID 81171925
N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]morpholine-2-carboxamide;dihydrochloride
CID 119887029
N-methyl-N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119887021
N-[4-[[(6-chloropyrazin-2-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide
CID 133305379
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CID 69070327
4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide
CID 119864752
N-methyl-N-[4-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133305352
N-methyl-N-[4-[[(3-methylquinoxalin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133305360
methyl 4-[[(1-aminocyclopropanecarbonyl)amino]methyl]benzoate
CID 65466652
N-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride (CID 119886989) is N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride is CN(C(=O)c1ccncc1)c1ccc(CNC(=O)C2(N)CC2)cc1.Cl.Cl.
What is the InChIKey of N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride?
The InChIKey is YWFZXWDNRNAFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2.2ClH/c1-22(16(23)14-6-10-20-11-7-14)15-4-2-13(3-5-15)12-21-17(24)18(19)8-9-18;;/h2-7,10-11H,8-9,12,19H2,1H3,(H,21,24);2*1H.
What are the key properties of N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride?
N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride has a molecular weight of 397.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119886989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).