N-butyl-2-[(5-methylpyrazin-2-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C16H19N7O — CID 90041169

IUPACN-butyl-2-[(5-methylpyrazin-2-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCCNC(=O)c1c[nH]c2ncc(Nc3cnc(C)cn3)nc12
InChIInChI=1S/C16H19N7O/c1-3-4-5-17-16(24)11-7-20-15-14(11)23-13(9-21-15)22-12-8-18-10(2)6-19-12/h6-9H,3-5H2,1-2H3,(H,17,24)(H,20,21)(H,19,22,23)
InChIKeyQIGOZPRGUSLRCL-UHFFFAOYSA-N
MW325.38 g/mol
LogP2.33
Rot. Bonds6

About N-butyl-2-[(5-methylpyrazin-2-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-butyl-2-[(5-methylpyrazin-2-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 90041169) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is N-butyl-2-[(5-methylpyrazin-2-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-butyl-2-[(5-methylpyrazin-2-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID90041169
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC NameN-butyl-2-[(5-methylpyrazin-2-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCCNC(=O)c1c[nH]c2ncc(Nc3cnc(C)cn3)nc12
InChIInChI=1S/C16H19N7O/c1-3-4-5-17-16(24)11-7-20-15-14(11)23-13(9-21-15)22-12-8-18-10(2)6-19-12/h6-9H,3-5H2,1-2H3,(H,17,24)(H,20,21)(H,19,22,23)
InChIKeyQIGOZPRGUSLRCL-UHFFFAOYSA-N
XLogP2.33
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118115928
N-butyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene-12-carboxamide
CID 163239704
2-[(1-prop-2-enoylpiperidin-4-yl)amino]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122674095
2-[(4,6-dimethyl-2-pyridinyl)oxy]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 67009036
N-butyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
CID 109272532
N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81235324
4-chloro-N-decyl-6-methylpyridine-3-carboxamide
CID 81227523
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750
5-methyl-N-[6-[(5-methylpyrazine-2-carbonyl)amino]hexyl]pyrazine-2-carboxamide
CID 4963664
2-cyclopropyl-N-(2-cyclopropylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 67125135
2-[[(3S,4S)-4-amino-4-cyano-1-prop-2-enoylpyrrolidin-3-yl]amino]-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 137387043
N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide
CID 109272412

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(5-methylpyrazin-2-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-butyl-2-[(5-methylpyrazin-2-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 90041169) is N-butyl-2-[(5-methylpyrazin-2-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-butyl-2-[(5-methylpyrazin-2-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-butyl-2-[(5-methylpyrazin-2-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CCCCNC(=O)c1c[nH]c2ncc(Nc3cnc(C)cn3)nc12.
What is the InChIKey of N-butyl-2-[(5-methylpyrazin-2-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is QIGOZPRGUSLRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-3-4-5-17-16(24)11-7-20-15-14(11)23-13(9-21-15)22-12-8-18-10(2)6-19-12/h6-9H,3-5H2,1-2H3,(H,17,24)(H,20,21)(H,19,22,23).
What are the key properties of N-butyl-2-[(5-methylpyrazin-2-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-butyl-2-[(5-methylpyrazin-2-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 325.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(5-methylpyrazin-2-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 90041169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).