(2S)-N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide

C17H25N5O — CID 95226094

IUPAC(2S)-N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
SMILESCCN(CC)c1ncccc1CNC(=O)[C@H](C)n1ccnc1C
InChIInChI=1S/C17H25N5O/c1-5-21(6-2)16-15(8-7-9-19-16)12-20-17(23)13(3)22-11-10-18-14(22)4/h7-11,13H,5-6,12H2,1-4H3,(H,20,23)/t13-/m0/s1
InChIKeyKCWOAUODQKAHOH-ZDUSSCGKSA-N
MW315.42 g/mol
LogP2.31
Rot. Bonds7

About (2S)-N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide

(2S)-N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide (PubChem CID 95226094) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (2S)-N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
PubChem CID95226094
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(2S)-N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
SMILESCCN(CC)c1ncccc1CNC(=O)[C@H](C)n1ccnc1C
InChIInChI=1S/C17H25N5O/c1-5-21(6-2)16-15(8-7-9-19-16)12-20-17(23)13(3)22-11-10-18-14(22)4/h7-11,13H,5-6,12H2,1-4H3,(H,20,23)/t13-/m0/s1
InChIKeyKCWOAUODQKAHOH-ZDUSSCGKSA-N
XLogP2.31
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 45253207
1-[[2-(diethylamino)-3-pyridinyl]methyl]-3-propylurea
CID 26318583
N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-pyridin-4-ylacetamide
CID 42520251
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 119063062
N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 56744678
4-N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 42565685
2-(2-methylimidazol-1-yl)-N-propan-2-ylpropanamide
CID 63810179
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
3-[(tert-butylamino)methyl]-N,N-diethylpyridin-2-amine
CID 62285753
N-[[2-(diethylamino)-3-pyridinyl]methyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56748172
N-[[2-(diethylamino)-3-pyridinyl]methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 56706974
N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 56750539

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide (CID 95226094) is (2S)-N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide is CCN(CC)c1ncccc1CNC(=O)[C@H](C)n1ccnc1C.
What is the InChIKey of (2S)-N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide?
The InChIKey is KCWOAUODQKAHOH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N5O/c1-5-21(6-2)16-15(8-7-9-19-16)12-20-17(23)13(3)22-11-10-18-14(22)4/h7-11,13H,5-6,12H2,1-4H3,(H,20,23)/t13-/m0/s1.
What are the key properties of (2S)-N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide?
(2S)-N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide has a molecular weight of 315.42 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide is sourced from PubChem (CID 95226094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).