N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-3-methylpyrazole-4-carboxamide

C20H23N5O — CID 56836552

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-3-methylpyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccccc2)nc1C
InChIInChI=1S/C20H23N5O/c1-13-9-19(21)23-14(2)17(13)10-22-20(26)18-12-25(24-15(18)3)11-16-7-5-4-6-8-16/h4-9,12H,10-11H2,1-3H3,(H2,21,23)(H,22,26)
InChIKeyNOUMDPPDURVRDC-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.76
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-3-methylpyrazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-3-methylpyrazole-4-carboxamide (PubChem CID 56836552) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-3-methylpyrazole-4-carboxamide
PubChem CID56836552
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-3-methylpyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccccc2)nc1C
InChIInChI=1S/C20H23N5O/c1-13-9-19(21)23-14(2)17(13)10-22-20(26)18-12-25(24-15(18)3)11-16-7-5-4-6-8-16/h4-9,12H,10-11H2,1-3H3,(H2,21,23)(H,22,26)
InChIKeyNOUMDPPDURVRDC-UHFFFAOYSA-N
XLogP2.76
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-3-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-3-methylpyrazole-4-carboxamide (CID 56836552) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-3-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-3-methylpyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccccc2)nc1C.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-3-methylpyrazole-4-carboxamide?
The InChIKey is NOUMDPPDURVRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-9-19(21)23-14(2)17(13)10-22-20(26)18-12-25(24-15(18)3)11-16-7-5-4-6-8-16/h4-9,12H,10-11H2,1-3H3,(H2,21,23)(H,22,26).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-3-methylpyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-3-methylpyrazole-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 56836552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).