N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide

C17H23N5O — CID 122565816

IUPACN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NC(c1nccn1C)C1CC1)Cc1ccccn1
InChIInChI=1S/C17H23N5O/c1-21(11-14-5-3-4-8-18-14)12-15(23)20-16(13-6-7-13)17-19-9-10-22(17)2/h3-5,8-10,13,16H,6-7,11-12H2,1-2H3,(H,20,23)
InChIKeyKLQIVAKQFYASRU-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.51
Rot. Bonds7

About N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide

N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide (PubChem CID 122565816) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide
PubChem CID122565816
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NC(c1nccn1C)C1CC1)Cc1ccccn1
InChIInChI=1S/C17H23N5O/c1-21(11-14-5-3-4-8-18-14)12-15(23)20-16(13-6-7-13)17-19-9-10-22(17)2/h3-5,8-10,13,16H,6-7,11-12H2,1-2H3,(H,20,23)
InChIKeyKLQIVAKQFYASRU-UHFFFAOYSA-N
XLogP1.51
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-oxo-4-phenylbutanamide
CID 125176121
N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2-fluorobenzamide
CID 135119010
3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
CID 125440679
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 125444734
2-(4-chlorophenyl)sulfanyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide
CID 124754507
N-[(1R,3R)-3-aminocyclopentyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide
CID 56868905
3-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 122568205
1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 125162266
3-(1,3-benzodioxol-5-yl)-N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]propanamide
CID 91781119
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 110246266
2-[methyl(pyridin-2-ylmethyl)amino]-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 125155321
2-(4-fluorophenoxy)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide
CID 128988115

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide (CID 122565816) is N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide is CN(CC(=O)NC(c1nccn1C)C1CC1)Cc1ccccn1.
What is the InChIKey of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide?
The InChIKey is KLQIVAKQFYASRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-21(11-14-5-3-4-8-18-14)12-15(23)20-16(13-6-7-13)17-19-9-10-22(17)2/h3-5,8-10,13,16H,6-7,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide?
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide has a molecular weight of 313.40 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 122565816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).