N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide

C17H23N7O — CID 91922863

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CN(c3ccncn3)C[C@H]2CN(C)C)cn1
InChIInChI=1S/C17H23N7O/c1-12-6-20-14(7-19-12)17(25)22-15-10-24(9-13(15)8-23(2)3)16-4-5-18-11-21-16/h4-7,11,13,15H,8-10H2,1-3H3,(H,22,25)/t13-,15-/m1/s1
InChIKeyHZWFDCAUIHNXEY-UKRRQHHQSA-N
MW341.42 g/mol
LogP0.37
Rot. Bonds5

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide (PubChem CID 91922863) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide
PubChem CID91922863
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CN(c3ccncn3)C[C@H]2CN(C)C)cn1
InChIInChI=1S/C17H23N7O/c1-12-6-20-14(7-19-12)17(25)22-15-10-24(9-13(15)8-23(2)3)16-4-5-18-11-21-16/h4-7,11,13,15H,8-10H2,1-3H3,(H,22,25)/t13-,15-/m1/s1
InChIKeyHZWFDCAUIHNXEY-UKRRQHHQSA-N
XLogP0.37
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide (CID 91922863) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@@H]2CN(c3ccncn3)C[C@H]2CN(C)C)cn1.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide?
The InChIKey is HZWFDCAUIHNXEY-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H23N7O/c1-12-6-20-14(7-19-12)17(25)22-15-10-24(9-13(15)8-23(2)3)16-4-5-18-11-21-16/h4-7,11,13,15H,8-10H2,1-3H3,(H,22,25)/t13-,15-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 91922863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).