N-[(2R)-1-[cyanomethyl(methyl)amino]-1-oxopropan-2-yl]-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C16H20N6O2 — CID 88901832

IUPACN-[(2R)-1-[cyanomethyl(methyl)amino]-1-oxopropan-2-yl]-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)C1CNc2ncc(C3CC3)nc21)C(=O)N(C)CC#N
InChIInChI=1S/C16H20N6O2/c1-9(16(24)22(2)6-5-17)20-15(23)11-7-18-14-13(11)21-12(8-19-14)10-3-4-10/h8-11H,3-4,6-7H2,1-2H3,(H,18,19)(H,20,23)/t9-,11?/m1/s1
InChIKeyOHCHECMCFRWRJT-BFHBGLAWSA-N
MW328.38 g/mol
LogP0.35
Rot. Bonds5

About N-[(2R)-1-[cyanomethyl(methyl)amino]-1-oxopropan-2-yl]-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(2R)-1-[cyanomethyl(methyl)amino]-1-oxopropan-2-yl]-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 88901832) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[(2R)-1-[cyanomethyl(methyl)amino]-1-oxopropan-2-yl]-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[cyanomethyl(methyl)amino]-1-oxopropan-2-yl]-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID88901832
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-[(2R)-1-[cyanomethyl(methyl)amino]-1-oxopropan-2-yl]-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)C1CNc2ncc(C3CC3)nc21)C(=O)N(C)CC#N
InChIInChI=1S/C16H20N6O2/c1-9(16(24)22(2)6-5-17)20-15(23)11-7-18-14-13(11)21-12(8-19-14)10-3-4-10/h8-11H,3-4,6-7H2,1-2H3,(H,18,19)(H,20,23)/t9-,11?/m1/s1
InChIKeyOHCHECMCFRWRJT-BFHBGLAWSA-N
XLogP0.35
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[cyanomethyl(methyl)amino]-1-oxopropan-2-yl]-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(2R)-1-[cyanomethyl(methyl)amino]-1-oxopropan-2-yl]-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 88901832) is N-[(2R)-1-[cyanomethyl(methyl)amino]-1-oxopropan-2-yl]-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(2R)-1-[cyanomethyl(methyl)amino]-1-oxopropan-2-yl]-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(2R)-1-[cyanomethyl(methyl)amino]-1-oxopropan-2-yl]-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@@H](NC(=O)C1CNc2ncc(C3CC3)nc21)C(=O)N(C)CC#N.
What is the InChIKey of N-[(2R)-1-[cyanomethyl(methyl)amino]-1-oxopropan-2-yl]-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is OHCHECMCFRWRJT-BFHBGLAWSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-9(16(24)22(2)6-5-17)20-15(23)11-7-18-14-13(11)21-12(8-19-14)10-3-4-10/h8-11H,3-4,6-7H2,1-2H3,(H,18,19)(H,20,23)/t9-,11?/m1/s1.
What are the key properties of N-[(2R)-1-[cyanomethyl(methyl)amino]-1-oxopropan-2-yl]-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(2R)-1-[cyanomethyl(methyl)amino]-1-oxopropan-2-yl]-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[cyanomethyl(methyl)amino]-1-oxopropan-2-yl]-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 88901832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).