N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide

C16H19ClN4O — CID 30478238

IUPACN-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)cn1
InChIInChI=1S/C16H19ClN4O/c1-11-8-19-14(9-18-11)16(22)20-10-15(21(2)3)12-6-4-5-7-13(12)17/h4-9,15H,10H2,1-3H3,(H,20,22)/t15-/m1/s1
InChIKeyCDGFVGZMIKBWBJ-OAHLLOKOSA-N
MW318.81 g/mol
LogP2.47
Rot. Bonds5

About N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide

N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide (PubChem CID 30478238) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide
PubChem CID30478238
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)cn1
InChIInChI=1S/C16H19ClN4O/c1-11-8-19-14(9-18-11)16(22)20-10-15(21(2)3)12-6-4-5-7-13(12)17/h4-9,15H,10H2,1-3H3,(H,20,22)/t15-/m1/s1
InChIKeyCDGFVGZMIKBWBJ-OAHLLOKOSA-N
XLogP2.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide
CID 43044703
N-[1-(2-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 42905859
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methylpyrazine-2-carboxamide
CID 30531933
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 51922914
5-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyrazine-2-carboxamide
CID 103817041
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-hydroxybenzamide
CID 51866833
5-methyl-N-(2-phenylpropyl)pyrazine-2-carboxamide
CID 18209356
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrazine-2-carboxamide
CID 30524608
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 43056764
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 30686848
N-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
CID 111102422
2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 8916135

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide (CID 30478238) is N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)cn1.
What is the InChIKey of N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is CDGFVGZMIKBWBJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-11-8-19-14(9-18-11)16(22)20-10-15(21(2)3)12-6-4-5-7-13(12)17/h4-9,15H,10H2,1-3H3,(H,20,22)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide?
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 30478238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).