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

C20H23N5O — CID 99843151

IUPACN-[4-[[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]amino]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(N[C@H](c2cccnc2)c2ncc[nH]2)cc1
InChIInChI=1S/C20H23N5O/c1-14(2)12-18(26)24-16-5-7-17(8-6-16)25-19(20-22-10-11-23-20)15-4-3-9-21-13-15/h3-11,13-14,19,25H,12H2,1-2H3,(H,22,23)(H,24,26)/t19-/m1/s1
InChIKeyLWNYGVBNSNTZTC-LJQANCHMSA-N
MW349.44 g/mol
LogP3.99
Rot. Bonds7

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

N-[4-[[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]amino]phenyl]-3-methylbutanamide (PubChem CID 99843151) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[4-[[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]amino]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]amino]phenyl]-3-methylbutanamide
PubChem CID99843151
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[4-[[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]amino]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(N[C@H](c2cccnc2)c2ncc[nH]2)cc1
InChIInChI=1S/C20H23N5O/c1-14(2)12-18(26)24-16-5-7-17(8-6-16)25-19(20-22-10-11-23-20)15-4-3-9-21-13-15/h3-11,13-14,19,25H,12H2,1-2H3,(H,22,23)(H,24,26)/t19-/m1/s1
InChIKeyLWNYGVBNSNTZTC-LJQANCHMSA-N
XLogP3.99
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide
CID 60613262
3-bromo-N-[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]-5-methylaniline
CID 129403575
N-[4-(diethylamino)phenyl]-3-pyridin-3-ylbutanamide
CID 110650746
N-(4-fluorophenyl)-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 81404886
3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25349174
3-methyl-N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide
CID 113026782
N-[4-[(3-methyl-1-phenylbutyl)amino]phenyl]acetamide
CID 43824761
N-(3-methyl-1-pyridin-3-ylbutyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 91776352
(E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide
CID 124756065
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
3-methyl-N-pyridin-3-ylpentanamide
CID 142960765

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]amino]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]amino]phenyl]-3-methylbutanamide (CID 99843151) is N-[4-[[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]amino]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]amino]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]amino]phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(N[C@H](c2cccnc2)c2ncc[nH]2)cc1.
What is the InChIKey of N-[4-[[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]amino]phenyl]-3-methylbutanamide?
The InChIKey is LWNYGVBNSNTZTC-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14(2)12-18(26)24-16-5-7-17(8-6-16)25-19(20-22-10-11-23-20)15-4-3-9-21-13-15/h3-11,13-14,19,25H,12H2,1-2H3,(H,22,23)(H,24,26)/t19-/m1/s1.
What are the key properties of N-[4-[[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]amino]phenyl]-3-methylbutanamide?
N-[4-[[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]amino]phenyl]-3-methylbutanamide has a molecular weight of 349.44 g/mol, XLogP of 3.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]amino]phenyl]-3-methylbutanamide is sourced from PubChem (CID 99843151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).