2,4-dimethyl-N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide

C17H24N6O — CID 56722336

IUPAC2,4-dimethyl-N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCC2CCN(Cc3cc(C)[nH]n3)C2)c(C)n1
InChIInChI=1S/C17H24N6O/c1-11-6-15(22-21-11)10-23-5-4-14(9-23)7-19-17(24)16-8-18-13(3)20-12(16)2/h6,8,14H,4-5,7,9-10H2,1-3H3,(H,19,24)(H,21,22)
InChIKeyDXIFSEIWRCZOCI-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.38
Rot. Bonds5

About 2,4-dimethyl-N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide

2,4-dimethyl-N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 56722336) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2,4-dimethyl-N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
PubChem CID56722336
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name2,4-dimethyl-N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCC2CCN(Cc3cc(C)[nH]n3)C2)c(C)n1
InChIInChI=1S/C17H24N6O/c1-11-6-15(22-21-11)10-23-5-4-14(9-23)7-19-17(24)16-8-18-13(3)20-12(16)2/h6,8,14H,4-5,7,9-10H2,1-3H3,(H,19,24)(H,21,22)
InChIKeyDXIFSEIWRCZOCI-UHFFFAOYSA-N
XLogP1.38
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide (CID 56722336) is 2,4-dimethyl-N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide is Cc1ncc(C(=O)NCC2CCN(Cc3cc(C)[nH]n3)C2)c(C)n1.
What is the InChIKey of 2,4-dimethyl-N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is DXIFSEIWRCZOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-11-6-15(22-21-11)10-23-5-4-14(9-23)7-19-17(24)16-8-18-13(3)20-12(16)2/h6,8,14H,4-5,7,9-10H2,1-3H3,(H,19,24)(H,21,22).
What are the key properties of 2,4-dimethyl-N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
2,4-dimethyl-N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 56722336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).