N-[4-methyl-3-[(5-pyridin-3-yl-1H-imidazol-2-yl)amino]phenyl]acetamide

C17H17N5O — CID 24971059

IUPACN-[4-methyl-3-[(5-pyridin-3-yl-1H-imidazol-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(Nc2ncc(-c3cccnc3)[nH]2)c1
InChIInChI=1S/C17H17N5O/c1-11-5-6-14(20-12(2)23)8-15(11)21-17-19-10-16(22-17)13-4-3-7-18-9-13/h3-10H,1-2H3,(H,20,23)(H2,19,21,22)
InChIKeyGRFLVOBVUSPSKY-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.48
Rot. Bonds4

About N-[4-methyl-3-[(5-pyridin-3-yl-1H-imidazol-2-yl)amino]phenyl]acetamide

N-[4-methyl-3-[(5-pyridin-3-yl-1H-imidazol-2-yl)amino]phenyl]acetamide (PubChem CID 24971059) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-[4-methyl-3-[(5-pyridin-3-yl-1H-imidazol-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(5-pyridin-3-yl-1H-imidazol-2-yl)amino]phenyl]acetamide
PubChem CID24971059
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-[4-methyl-3-[(5-pyridin-3-yl-1H-imidazol-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(Nc2ncc(-c3cccnc3)[nH]2)c1
InChIInChI=1S/C17H17N5O/c1-11-5-6-14(20-12(2)23)8-15(11)21-17-19-10-16(22-17)13-4-3-7-18-9-13/h3-10H,1-2H3,(H,20,23)(H2,19,21,22)
InChIKeyGRFLVOBVUSPSKY-UHFFFAOYSA-N
XLogP3.48
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-[(5-pyridin-3-yl-1H-imidazol-2-yl)amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 87795824
N-[4-(10,15,20-tripyridin-3-yl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]acetamide
CID 91485582
N-(5-pyridin-3-yl-1H-pyrazol-3-yl)acetamide
CID 137321038
1-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(3,4,5-trimethylphenyl)urea
CID 57473566
1-(4-chlorophenyl)-3-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]urea
CID 135393863
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]butanamide
CID 20772083
4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]benzamide
CID 23536120
N-(2-methyl-5-nitrophenyl)-5-phenyl-1H-imidazol-2-amine
CID 24971010
4-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 177190731
1-(4-methylphenyl)-3-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]urea
CID 10432011
(E)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 71301684
4-methyl-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]pentanamide
CID 11371968

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(5-pyridin-3-yl-1H-imidazol-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-methyl-3-[(5-pyridin-3-yl-1H-imidazol-2-yl)amino]phenyl]acetamide (CID 24971059) is N-[4-methyl-3-[(5-pyridin-3-yl-1H-imidazol-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-[(5-pyridin-3-yl-1H-imidazol-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-[(5-pyridin-3-yl-1H-imidazol-2-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(C)c(Nc2ncc(-c3cccnc3)[nH]2)c1.
What is the InChIKey of N-[4-methyl-3-[(5-pyridin-3-yl-1H-imidazol-2-yl)amino]phenyl]acetamide?
The InChIKey is GRFLVOBVUSPSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11-5-6-14(20-12(2)23)8-15(11)21-17-19-10-16(22-17)13-4-3-7-18-9-13/h3-10H,1-2H3,(H,20,23)(H2,19,21,22).
What are the key properties of N-[4-methyl-3-[(5-pyridin-3-yl-1H-imidazol-2-yl)amino]phenyl]acetamide?
N-[4-methyl-3-[(5-pyridin-3-yl-1H-imidazol-2-yl)amino]phenyl]acetamide has a molecular weight of 307.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(5-pyridin-3-yl-1H-imidazol-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 24971059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).