2-[3-(propanoylamino)anilino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C19H22N6O2 — CID 141470778

IUPAC2-[3-(propanoylamino)anilino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCC(=O)Nc1cccc(Nc2cnc3[nH]cc(C(=O)NC(C)C)c3n2)c1
InChIInChI=1S/C19H22N6O2/c1-4-16(26)24-13-7-5-6-12(8-13)23-15-10-21-18-17(25-15)14(9-20-18)19(27)22-11(2)3/h5-11H,4H2,1-3H3,(H,20,21)(H,22,27)(H,23,25)(H,24,26)
InChIKeyOAZWQWKQDXWICE-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.19
Rot. Bonds6

About 2-[3-(propanoylamino)anilino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-[3-(propanoylamino)anilino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 141470778) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-[3-(propanoylamino)anilino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[3-(propanoylamino)anilino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID141470778
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name2-[3-(propanoylamino)anilino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCC(=O)Nc1cccc(Nc2cnc3[nH]cc(C(=O)NC(C)C)c3n2)c1
InChIInChI=1S/C19H22N6O2/c1-4-16(26)24-13-7-5-6-12(8-13)23-15-10-21-18-17(25-15)14(9-20-18)19(27)22-11(2)3/h5-11H,4H2,1-3H3,(H,20,21)(H,22,27)(H,23,25)(H,24,26)
InChIKeyOAZWQWKQDXWICE-UHFFFAOYSA-N
XLogP3.19
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[2-cyano-3-(dimethylamino)-3-oxoprop-1-enyl]anilino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71014299
N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118641538
2-anilino-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 89453154
5-(butanoylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11358197
2-[4-(3-cyano-4-morpholin-4-yl-4-oxobut-2-enyl)anilino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 123303567
N-[6-(3-methoxyanilino)-3-pyridinyl]propanamide
CID 113019375
3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731
N-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]propanamide
CID 58896997
2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 59540773
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54832994
4-(propanoylamino)-N-propan-2-yl-1H-pyrrole-2-carboxamide
CID 142333117

Frequently Asked Questions

What is the IUPAC name of 2-[3-(propanoylamino)anilino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-[3-(propanoylamino)anilino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 141470778) is 2-[3-(propanoylamino)anilino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[3-(propanoylamino)anilino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-[3-(propanoylamino)anilino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CCC(=O)Nc1cccc(Nc2cnc3[nH]cc(C(=O)NC(C)C)c3n2)c1.
What is the InChIKey of 2-[3-(propanoylamino)anilino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is OAZWQWKQDXWICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-4-16(26)24-13-7-5-6-12(8-13)23-15-10-21-18-17(25-15)14(9-20-18)19(27)22-11(2)3/h5-11H,4H2,1-3H3,(H,20,21)(H,22,27)(H,23,25)(H,24,26).
What are the key properties of 2-[3-(propanoylamino)anilino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-[3-(propanoylamino)anilino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(propanoylamino)anilino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 141470778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).