5-[[(2R)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]amino]-3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carboxamide

C17H21N7O2 — CID 71572169

IUPAC5-[[(2R)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]amino]-3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carboxamide
SMILESCc1cncc(Nc2nc(N[C@H](CC3CC3)C(N)=O)cnc2C(N)=O)c1
InChIInChI=1S/C17H21N7O2/c1-9-4-11(7-20-6-9)22-17-14(16(19)26)21-8-13(24-17)23-12(15(18)25)5-10-2-3-10/h4,6-8,10,12H,2-3,5H2,1H3,(H2,18,25)(H2,19,26)(H2,22,23,24)/t12-/m1/s1
InChIKeyAEXJQWOMYZEKRW-GFCCVEGCSA-N
MW355.40 g/mol
LogP1.09
Rot. Bonds8

About 5-[[(2R)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]amino]-3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carboxamide

5-[[(2R)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]amino]-3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carboxamide (PubChem CID 71572169) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 5-[[(2R)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]amino]-3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[[(2R)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]amino]-3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carboxamide
PubChem CID71572169
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name5-[[(2R)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]amino]-3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carboxamide
SMILESCc1cncc(Nc2nc(N[C@H](CC3CC3)C(N)=O)cnc2C(N)=O)c1
InChIInChI=1S/C17H21N7O2/c1-9-4-11(7-20-6-9)22-17-14(16(19)26)21-8-13(24-17)23-12(15(18)25)5-10-2-3-10/h4,6-8,10,12H,2-3,5H2,1H3,(H2,18,25)(H2,19,26)(H2,22,23,24)/t12-/m1/s1
InChIKeyAEXJQWOMYZEKRW-GFCCVEGCSA-N
XLogP1.09
TPSA148.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]amino]-3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carboxamide?
The IUPAC name of 5-[[(2R)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]amino]-3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carboxamide (CID 71572169) is 5-[[(2R)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]amino]-3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[[(2R)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]amino]-3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[[(2R)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]amino]-3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carboxamide is Cc1cncc(Nc2nc(N[C@H](CC3CC3)C(N)=O)cnc2C(N)=O)c1.
What is the InChIKey of 5-[[(2R)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]amino]-3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carboxamide?
The InChIKey is AEXJQWOMYZEKRW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-9-4-11(7-20-6-9)22-17-14(16(19)26)21-8-13(24-17)23-12(15(18)25)5-10-2-3-10/h4,6-8,10,12H,2-3,5H2,1H3,(H2,18,25)(H2,19,26)(H2,22,23,24)/t12-/m1/s1.
What are the key properties of 5-[[(2R)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]amino]-3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carboxamide?
5-[[(2R)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]amino]-3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.09, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]amino]-3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 71572169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).