N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-ethoxypyridine-3-carboxamide

C19H19ClN4O2 — CID 41037851

IUPACN-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C
InChIInChI=1S/C19H19ClN4O2/c1-3-26-19-15(5-4-10-22-19)18(25)23-16(17-21-11-12-24(17)2)13-6-8-14(20)9-7-13/h4-12,16H,3H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyIZFJWKMCSNQSDY-INIZCTEOSA-N
MW370.84 g/mol
LogP3.39
Rot. Bonds6

About N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-ethoxypyridine-3-carboxamide

N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-ethoxypyridine-3-carboxamide (PubChem CID 41037851) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-ethoxypyridine-3-carboxamide
PubChem CID41037851
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC NameN-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C
InChIInChI=1S/C19H19ClN4O2/c1-3-26-19-15(5-4-10-22-19)18(25)23-16(17-21-11-12-24(17)2)13-6-8-14(20)9-7-13/h4-12,16H,3H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyIZFJWKMCSNQSDY-INIZCTEOSA-N
XLogP3.39
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-diethoxybenzamide
CID 27034467
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51559087
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-propoxybenzamide
CID 27034768
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 45355242
2-(4-chlorophenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 9247935
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 27034422
1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-ethoxyethyl)urea
CID 94042521
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropoxy)benzamide
CID 25325512
5-chloro-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 25344825
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 27453749
3-(4-chlorophenoxy)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51955813
1-butyl-3-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36961553

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-ethoxypyridine-3-carboxamide (CID 41037851) is N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C.
What is the InChIKey of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-ethoxypyridine-3-carboxamide?
The InChIKey is IZFJWKMCSNQSDY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-3-26-19-15(5-4-10-22-19)18(25)23-16(17-21-11-12-24(17)2)13-6-8-14(20)9-7-13/h4-12,16H,3H2,1-2H3,(H,23,25)/t16-/m0/s1.
What are the key properties of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-ethoxypyridine-3-carboxamide?
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-ethoxypyridine-3-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 41037851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).