N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide

C20H24N6O — CID 72925010

IUPACN-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCc1nn(C(C)C)c(C)c1CN(C)C(=O)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C20H24N6O/c1-13(2)26-15(4)18(14(3)24-26)12-25(5)20(27)17-10-22-19(23-11-17)16-6-8-21-9-7-16/h6-11,13H,12H2,1-5H3
InChIKeyLREPBXPIPLXIJB-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.21
Rot. Bonds5

About N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide

N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 72925010) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID72925010
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCc1nn(C(C)C)c(C)c1CN(C)C(=O)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C20H24N6O/c1-13(2)26-15(4)18(14(3)24-26)12-25(5)20(27)17-10-22-19(23-11-17)16-6-8-21-9-7-16/h6-11,13H,12H2,1-5H3
InChIKeyLREPBXPIPLXIJB-UHFFFAOYSA-N
XLogP3.21
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide (CID 72925010) is N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide is Cc1nn(C(C)C)c(C)c1CN(C)C(=O)c1cnc(-c2ccncc2)nc1.
What is the InChIKey of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is LREPBXPIPLXIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13(2)26-15(4)18(14(3)24-26)12-25(5)20(27)17-10-22-19(23-11-17)16-6-8-21-9-7-16/h6-11,13H,12H2,1-5H3.
What are the key properties of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide?
N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 72925010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).