N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide

C16H23N5O — CID 99971868

IUPACN-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCC[C@H](NC(=O)CN(C)Cc1cccnc1)c1ncc(C)[nH]1
InChIInChI=1S/C16H23N5O/c1-4-14(16-18-8-12(2)19-16)20-15(22)11-21(3)10-13-6-5-7-17-9-13/h5-9,14H,4,10-11H2,1-3H3,(H,18,19)(H,20,22)/t14-/m0/s1
InChIKeyDVKRGYVXTLKMJY-AWEZNQCLSA-N
MW301.39 g/mol
LogP1.81
Rot. Bonds7

About N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide

N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide (PubChem CID 99971868) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
PubChem CID99971868
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCC[C@H](NC(=O)CN(C)Cc1cccnc1)c1ncc(C)[nH]1
InChIInChI=1S/C16H23N5O/c1-4-14(16-18-8-12(2)19-16)20-15(22)11-21(3)10-13-6-5-7-17-9-13/h5-9,14H,4,10-11H2,1-3H3,(H,18,19)(H,20,22)/t14-/m0/s1
InChIKeyDVKRGYVXTLKMJY-AWEZNQCLSA-N
XLogP1.81
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]urea
CID 97455583
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 133121337
N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-(5-methylpyrazol-1-yl)propanamide
CID 131930615
N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563126
2-(3-chloro-4-hydroxyphenyl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]acetamide
CID 99961287
2-[methyl(pyrazin-2-yl)amino]-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]acetamide
CID 51128541
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 118782931
N-(3-amino-4-methylphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563094
2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoic acid
CID 115186030
4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide
CID 63571806
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]thiophene-2-carboxamide
CID 99933460
N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-phenylprop-2-enamide
CID 171135015

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The IUPAC name of N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide (CID 99971868) is N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide is CC[C@H](NC(=O)CN(C)Cc1cccnc1)c1ncc(C)[nH]1.
What is the InChIKey of N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The InChIKey is DVKRGYVXTLKMJY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N5O/c1-4-14(16-18-8-12(2)19-16)20-15(22)11-21(3)10-13-6-5-7-17-9-13/h5-9,14H,4,10-11H2,1-3H3,(H,18,19)(H,20,22)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide has a molecular weight of 301.39 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 99971868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).