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

C20H23N5O2 — CID 56836258

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)NCc3c(C)cc(N)nc3C)cn2)cc1
InChIInChI=1S/C20H23N5O2/c1-13-8-19(21)24-14(2)18(13)10-22-20(26)16-9-23-25(12-16)11-15-4-6-17(27-3)7-5-15/h4-9,12H,10-11H2,1-3H3,(H2,21,24)(H,22,26)
InChIKeyULUARQDPFVJPMB-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.46
Rot. Bonds6

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 56836258) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide
PubChem CID56836258
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)NCc3c(C)cc(N)nc3C)cn2)cc1
InChIInChI=1S/C20H23N5O2/c1-13-8-19(21)24-14(2)18(13)10-22-20(26)16-9-23-25(12-16)11-15-4-6-17(27-3)7-5-15/h4-9,12H,10-11H2,1-3H3,(H2,21,24)(H,22,26)
InChIKeyULUARQDPFVJPMB-UHFFFAOYSA-N
XLogP2.46
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide (CID 56836258) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide is COc1ccc(Cn2cc(C(=O)NCc3c(C)cc(N)nc3C)cn2)cc1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is ULUARQDPFVJPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-8-19(21)24-14(2)18(13)10-22-20(26)16-9-23-25(12-16)11-15-4-6-17(27-3)7-5-15/h4-9,12H,10-11H2,1-3H3,(H2,21,24)(H,22,26).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56836258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).