5-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]pyrazine-2-carboxylic acid

C16H15Cl2N3O3 — CID 120685188

IUPAC5-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C16H15Cl2N3O3/c1-9(2)21(8-10-3-4-11(17)12(18)5-10)15(22)13-6-20-14(7-19-13)16(23)24/h3-7,9H,8H2,1-2H3,(H,23,24)
InChIKeyRSVZUYUZHQGJJC-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.53
Rot. Bonds5

About 5-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]pyrazine-2-carboxylic acid

5-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685188) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685188
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC Name5-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C16H15Cl2N3O3/c1-9(2)21(8-10-3-4-11(17)12(18)5-10)15(22)13-6-20-14(7-19-13)16(23)24/h3-7,9H,8H2,1-2H3,(H,23,24)
InChIKeyRSVZUYUZHQGJJC-UHFFFAOYSA-N
XLogP3.53
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide
CID 107904496
5-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylthiophene-2-carboxamide
CID 63523898
N-benzyl-5-(2-chloroanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109287680
2-bromo-N-[(3,4-dichlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 63463541
N-[(3,4-dichlorophenyl)methyl]-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide;hydrochloride
CID 119740289
methyl 3-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]-5-nitrobenzoate
CID 52701013
N-[(3,4-dichlorophenyl)methyl]-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide
CID 52671402
N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N-propan-2-ylbutanamide
CID 62837617
N-benzyl-N-butan-2-yl-5-chloropyrazine-2-carboxamide
CID 103817289
5-[methyl(propan-2-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684747
3-[[benzyl(methyl)carbamoyl]amino]-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide
CID 56580420
2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetic acid
CID 60832402

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]pyrazine-2-carboxylic acid (CID 120685188) is 5-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]pyrazine-2-carboxylic acid is CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is RSVZUYUZHQGJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3/c1-9(2)21(8-10-3-4-11(17)12(18)5-10)15(22)13-6-20-14(7-19-13)16(23)24/h3-7,9H,8H2,1-2H3,(H,23,24).
What are the key properties of 5-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]pyrazine-2-carboxylic acid?
5-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 368.22 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).