N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C19H19N5O2 — CID 118641538

IUPACN-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC=CC(=O)Nc1cccc(-c2cnc3[nH]cc(C(=O)NC(C)C)c3n2)c1
InChIInChI=1S/C19H19N5O2/c1-4-16(25)23-13-7-5-6-12(8-13)15-10-21-18-17(24-15)14(9-20-18)19(26)22-11(2)3/h4-11H,1H2,2-3H3,(H,20,21)(H,22,26)(H,23,25)
InChIKeyMBSRYMRQUSEPDY-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.89
Rot. Bonds5

About N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 118641538) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID118641538
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC=CC(=O)Nc1cccc(-c2cnc3[nH]cc(C(=O)NC(C)C)c3n2)c1
InChIInChI=1S/C19H19N5O2/c1-4-16(25)23-13-7-5-6-12(8-13)15-10-21-18-17(24-15)14(9-20-18)19(26)22-11(2)3/h4-11H,1H2,2-3H3,(H,20,21)(H,22,26)(H,23,25)
InChIKeyMBSRYMRQUSEPDY-UHFFFAOYSA-N
XLogP2.89
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 118641538) is N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(C(=O)NC(C)C)c3n2)c1.
What is the InChIKey of N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is MBSRYMRQUSEPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-4-16(25)23-13-7-5-6-12(8-13)15-10-21-18-17(24-15)14(9-20-18)19(26)22-11(2)3/h4-11H,1H2,2-3H3,(H,20,21)(H,22,26)(H,23,25).
What are the key properties of N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 118641538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).