N-[4-[[(4-amino-3-methoxybutanoyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride

C18H24Cl2N4O3 — CID 120596241

IUPACN-[4-[[(4-amino-3-methoxybutanoyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
SMILESCOC(CN)CC(=O)NCc1ccc(NC(=O)c2cccnc2)cc1.Cl.Cl
InChIInChI=1S/C18H22N4O3.2ClH/c1-25-16(10-19)9-17(23)21-11-13-4-6-15(7-5-13)22-18(24)14-3-2-8-20-12-14;;/h2-8,12,16H,9-11,19H2,1H3,(H,21,23)(H,22,24);2*1H
InChIKeyHJGBTUQZUVHLPZ-UHFFFAOYSA-N
MW415.32 g/mol
LogP2.16
Rot. Bonds8

About N-[4-[[(4-amino-3-methoxybutanoyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride

N-[4-[[(4-amino-3-methoxybutanoyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 120596241) has the molecular formula C18H24Cl2N4O3 and a molecular weight of 415.32 g/mol. Its IUPAC name is N-[4-[[(4-amino-3-methoxybutanoyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[[(4-amino-3-methoxybutanoyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
PubChem CID120596241
Molecular FormulaC18H24Cl2N4O3
Molecular Weight415.32 g/mol
Exact Mass414.12
IUPAC NameN-[4-[[(4-amino-3-methoxybutanoyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
SMILESCOC(CN)CC(=O)NCc1ccc(NC(=O)c2cccnc2)cc1.Cl.Cl
InChIInChI=1S/C18H22N4O3.2ClH/c1-25-16(10-19)9-17(23)21-11-13-4-6-15(7-5-13)22-18(24)14-3-2-8-20-12-14;;/h2-8,12,16H,9-11,19H2,1H3,(H,21,23)(H,22,24);2*1H
InChIKeyHJGBTUQZUVHLPZ-UHFFFAOYSA-N
XLogP2.16
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504
N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108925682
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
N-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925558
N-[4-[[(3,4,5-triethoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925490
N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925489
N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925525
N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926397
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
N-[4-[[[2-(2-chloro-4-hydroxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 167869744
4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide
CID 120588034

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-amino-3-methoxybutanoyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[4-[[(4-amino-3-methoxybutanoyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride (CID 120596241) is N-[4-[[(4-amino-3-methoxybutanoyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-[[(4-amino-3-methoxybutanoyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-[[(4-amino-3-methoxybutanoyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride is COC(CN)CC(=O)NCc1ccc(NC(=O)c2cccnc2)cc1.Cl.Cl.
What is the InChIKey of N-[4-[[(4-amino-3-methoxybutanoyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is HJGBTUQZUVHLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3.2ClH/c1-25-16(10-19)9-17(23)21-11-13-4-6-15(7-5-13)22-18(24)14-3-2-8-20-12-14;;/h2-8,12,16H,9-11,19H2,1H3,(H,21,23)(H,22,24);2*1H.
What are the key properties of N-[4-[[(4-amino-3-methoxybutanoyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride?
N-[4-[[(4-amino-3-methoxybutanoyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 415.32 g/mol, XLogP of 2.16, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-amino-3-methoxybutanoyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120596241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).