N-butan-2-yl-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzamide

C18H19N5O — CID 133309570

IUPACN-butan-2-yl-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzamide
SMILESCCC(C)NC(=O)c1ccc(Nc2ccc3nccnc3n2)cc1
InChIInChI=1S/C18H19N5O/c1-3-12(2)21-18(24)13-4-6-14(7-5-13)22-16-9-8-15-17(23-16)20-11-10-19-15/h4-12H,3H2,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyHVVQMATYEGEHOE-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.30
Rot. Bonds5

About N-butan-2-yl-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzamide

N-butan-2-yl-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzamide (PubChem CID 133309570) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-butan-2-yl-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzamide
PubChem CID133309570
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-butan-2-yl-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzamide
SMILESCCC(C)NC(=O)c1ccc(Nc2ccc3nccnc3n2)cc1
InChIInChI=1S/C18H19N5O/c1-3-12(2)21-18(24)13-4-6-14(7-5-13)22-16-9-8-15-17(23-16)20-11-10-19-15/h4-12H,3H2,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyHVVQMATYEGEHOE-UHFFFAOYSA-N
XLogP3.30
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[4-(butan-2-ylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109165860
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
2-fluoro-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzoic acid
CID 107793274
N-butan-2-yl-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109165854
N-butan-2-yl-6-(methylamino)pyridine-3-carboxamide
CID 62171833
N-butan-2-yl-4-(propylamino)benzamide
CID 62171300
N-[(2S)-butan-2-yl]-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]benzamide
CID 99844668
methyl 3-[[5-(butan-2-ylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109152090
4-amino-N-butan-2-ylbenzamide
CID 3503917
N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 42427383
N-butan-2-ylquinoxaline-5-carboxamide
CID 110701330
methyl 4-[[4-(butan-2-ylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109297417

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzamide?
The IUPAC name of N-butan-2-yl-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzamide (CID 133309570) is N-butan-2-yl-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzamide.
What is the SMILES notation for N-butan-2-yl-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzamide?
The canonical SMILES for N-butan-2-yl-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzamide is CCC(C)NC(=O)c1ccc(Nc2ccc3nccnc3n2)cc1.
What is the InChIKey of N-butan-2-yl-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzamide?
The InChIKey is HVVQMATYEGEHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-3-12(2)21-18(24)13-4-6-14(7-5-13)22-16-9-8-15-17(23-16)20-11-10-19-15/h4-12H,3H2,1-2H3,(H,21,24)(H,20,22,23).
What are the key properties of N-butan-2-yl-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzamide?
N-butan-2-yl-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzamide has a molecular weight of 321.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(pyrido[2,3-b]pyrazin-6-ylamino)benzamide is sourced from PubChem (CID 133309570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).