N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]pyrazole-4-carboxamide

C20H25N7O2S — CID 56836331

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2csc(CC(=O)N(C)C)n2)c1
InChIInChI=1S/C20H25N7O2S/c1-12-5-17(21)24-13(2)16(12)8-22-20(29)14-7-23-27(9-14)10-15-11-30-18(25-15)6-19(28)26(3)4/h5,7,9,11H,6,8,10H2,1-4H3,(H2,21,24)(H,22,29)
InChIKeyUVQHJBUGKGJWEA-UHFFFAOYSA-N
MW427.53 g/mol
LogP1.54
Rot. Bonds7

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]pyrazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]pyrazole-4-carboxamide (PubChem CID 56836331) has the molecular formula C20H25N7O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]pyrazole-4-carboxamide
PubChem CID56836331
Molecular FormulaC20H25N7O2S
Molecular Weight427.53 g/mol
Exact Mass427.18
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2csc(CC(=O)N(C)C)n2)c1
InChIInChI=1S/C20H25N7O2S/c1-12-5-17(21)24-13(2)16(12)8-22-20(29)14-7-23-27(9-14)10-15-11-30-18(25-15)6-19(28)26(3)4/h5,7,9,11H,6,8,10H2,1-4H3,(H2,21,24)(H,22,29)
InChIKeyUVQHJBUGKGJWEA-UHFFFAOYSA-N
XLogP1.54
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]pyrazole-4-carboxamide (CID 56836331) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]pyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2csc(CC(=O)N(C)C)n2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is UVQHJBUGKGJWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2S/c1-12-5-17(21)24-13(2)16(12)8-22-20(29)14-7-23-27(9-14)10-15-11-30-18(25-15)6-19(28)26(3)4/h5,7,9,11H,6,8,10H2,1-4H3,(H2,21,24)(H,22,29).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56836331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).