N-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-6-pyridin-4-ylpyridine-3-carboxamide

C20H20N4O — CID 155966958

IUPACN-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-6-pyridin-4-ylpyridine-3-carboxamide
SMILESC[C@@H](N)c1ccc(CNC(=O)c2ccc(-c3ccncc3)nc2)cc1
InChIInChI=1S/C20H20N4O/c1-14(21)16-4-2-15(3-5-16)12-24-20(25)18-6-7-19(23-13-18)17-8-10-22-11-9-17/h2-11,13-14H,12,21H2,1H3,(H,24,25)/t14-/m1/s1
InChIKeyDFASSMIZRYUBIN-CQSZACIVSA-N
MW332.41 g/mol
LogP3.09
Rot. Bonds5

About N-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-6-pyridin-4-ylpyridine-3-carboxamide

N-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-6-pyridin-4-ylpyridine-3-carboxamide (PubChem CID 155966958) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-6-pyridin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-6-pyridin-4-ylpyridine-3-carboxamide
PubChem CID155966958
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-6-pyridin-4-ylpyridine-3-carboxamide
SMILESC[C@@H](N)c1ccc(CNC(=O)c2ccc(-c3ccncc3)nc2)cc1
InChIInChI=1S/C20H20N4O/c1-14(21)16-4-2-15(3-5-16)12-24-20(25)18-6-7-19(23-13-18)17-8-10-22-11-9-17/h2-11,13-14H,12,21H2,1H3,(H,24,25)/t14-/m1/s1
InChIKeyDFASSMIZRYUBIN-CQSZACIVSA-N
XLogP3.09
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841638
6-fluoro-N-[[4-[1-[(6-fluoropyridine-3-carbonyl)amino]ethyl]phenyl]methyl]pyridine-3-carboxamide
CID 154837884
6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109156907
6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4658115
(2S)-2-amino-3-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]propanoic acid
CID 146352515
3-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide
CID 45136907
3-(5-ethyl-2-pyridinyl)-N-[(6-ethyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide
CID 91393472
N-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide
CID 110780451
N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 3916665
N-phenyl-6-pyridin-4-ylpyridine-3-carboxamide
CID 174640985
6-(3-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide
CID 53111039

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-6-pyridin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-6-pyridin-4-ylpyridine-3-carboxamide (CID 155966958) is N-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-6-pyridin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-6-pyridin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-6-pyridin-4-ylpyridine-3-carboxamide is C[C@@H](N)c1ccc(CNC(=O)c2ccc(-c3ccncc3)nc2)cc1.
What is the InChIKey of N-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-6-pyridin-4-ylpyridine-3-carboxamide?
The InChIKey is DFASSMIZRYUBIN-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14(21)16-4-2-15(3-5-16)12-24-20(25)18-6-7-19(23-13-18)17-8-10-22-11-9-17/h2-11,13-14H,12,21H2,1H3,(H,24,25)/t14-/m1/s1.
What are the key properties of N-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-6-pyridin-4-ylpyridine-3-carboxamide?
N-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-6-pyridin-4-ylpyridine-3-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-6-pyridin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 155966958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).