5-(4-acetamidoanilino)-N-cyclopropylpyrazine-2-carboxamide

C16H17N5O2 — CID 109271696

IUPAC5-(4-acetamidoanilino)-N-cyclopropylpyrazine-2-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cnc(C(=O)NC3CC3)cn2)cc1
InChIInChI=1S/C16H17N5O2/c1-10(22)19-11-2-4-12(5-3-11)20-15-9-17-14(8-18-15)16(23)21-13-6-7-13/h2-5,8-9,13H,6-7H2,1H3,(H,18,20)(H,19,22)(H,21,23)
InChIKeyYTXGZYGVJFNYMZ-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.07
Rot. Bonds5

About 5-(4-acetamidoanilino)-N-cyclopropylpyrazine-2-carboxamide

5-(4-acetamidoanilino)-N-cyclopropylpyrazine-2-carboxamide (PubChem CID 109271696) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 5-(4-acetamidoanilino)-N-cyclopropylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidoanilino)-N-cyclopropylpyrazine-2-carboxamide
PubChem CID109271696
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name5-(4-acetamidoanilino)-N-cyclopropylpyrazine-2-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cnc(C(=O)NC3CC3)cn2)cc1
InChIInChI=1S/C16H17N5O2/c1-10(22)19-11-2-4-12(5-3-11)20-15-9-17-14(8-18-15)16(23)21-13-6-7-13/h2-5,8-9,13H,6-7H2,1H3,(H,18,20)(H,19,22)(H,21,23)
InChIKeyYTXGZYGVJFNYMZ-UHFFFAOYSA-N
XLogP2.07
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271678
N-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109274776
5-(4-acetamidoanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109183029
N-cyclopentyl-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109274017
N-(4-acetamidophenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274209
5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271673
2-(4-acetamidoanilino)-N-cyclopropylpyrimidine-4-carboxamide
CID 109295859
5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide
CID 109274767
N-cyclopropyl-5-(2,6-dichloroanilino)pyrazine-2-carboxamide
CID 109271734
5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide
CID 109294153
N-cyclobutyl-5-(methylamino)pyrazine-2-carboxamide
CID 107375423
5-(2-bromoanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271713

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidoanilino)-N-cyclopropylpyrazine-2-carboxamide?
The IUPAC name of 5-(4-acetamidoanilino)-N-cyclopropylpyrazine-2-carboxamide (CID 109271696) is 5-(4-acetamidoanilino)-N-cyclopropylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-acetamidoanilino)-N-cyclopropylpyrazine-2-carboxamide?
The canonical SMILES for 5-(4-acetamidoanilino)-N-cyclopropylpyrazine-2-carboxamide is CC(=O)Nc1ccc(Nc2cnc(C(=O)NC3CC3)cn2)cc1.
What is the InChIKey of 5-(4-acetamidoanilino)-N-cyclopropylpyrazine-2-carboxamide?
The InChIKey is YTXGZYGVJFNYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10(22)19-11-2-4-12(5-3-11)20-15-9-17-14(8-18-15)16(23)21-13-6-7-13/h2-5,8-9,13H,6-7H2,1H3,(H,18,20)(H,19,22)(H,21,23).
What are the key properties of 5-(4-acetamidoanilino)-N-cyclopropylpyrazine-2-carboxamide?
5-(4-acetamidoanilino)-N-cyclopropylpyrazine-2-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidoanilino)-N-cyclopropylpyrazine-2-carboxamide is sourced from PubChem (CID 109271696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).