N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3,5-dimethoxyphenyl)methyl]pyrazole-4-carboxamide

C21H25N5O3 — CID 56836927

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3,5-dimethoxyphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1cc(Cn2cc(C(=O)NCc3c(C)cc(N)nc3C)cn2)cc(OC)c1
InChIInChI=1S/C21H25N5O3/c1-13-5-20(22)25-14(2)19(13)10-23-21(27)16-9-24-26(12-16)11-15-6-17(28-3)8-18(7-15)29-4/h5-9,12H,10-11H2,1-4H3,(H2,22,25)(H,23,27)
InChIKeyUTAJKCOBLAFYDW-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.47
Rot. Bonds7

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3,5-dimethoxyphenyl)methyl]pyrazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3,5-dimethoxyphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 56836927) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3,5-dimethoxyphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3,5-dimethoxyphenyl)methyl]pyrazole-4-carboxamide
PubChem CID56836927
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3,5-dimethoxyphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1cc(Cn2cc(C(=O)NCc3c(C)cc(N)nc3C)cn2)cc(OC)c1
InChIInChI=1S/C21H25N5O3/c1-13-5-20(22)25-14(2)19(13)10-23-21(27)16-9-24-26(12-16)11-15-6-17(28-3)8-18(7-15)29-4/h5-9,12H,10-11H2,1-4H3,(H2,22,25)(H,23,27)
InChIKeyUTAJKCOBLAFYDW-UHFFFAOYSA-N
XLogP2.47
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(8e)-3-Amino-1-Methyl-15-[(1h-Pyrazol-1-Yl)methyl]-7,10,11,12,24,25-Hexahydro-6h,18h,23h-19,22-(Metheno)pyrido[4,3-J][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-One
CID 134131589
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-phenylmethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 56835923
N-((1-(3,5-Dimethoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)-2-(4-fluorophenylamino)nicotinamide
CID 90681009
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 56836191
(12E)-20-amino-22-methyl-6-(pyrazol-1-ylmethyl)-9,17-dioxa-1,21,25,29-tetrazatetracyclo[25.2.1.03,8.018,23]triaconta-3(8),4,6,12,18,20,22,27(30),28-nonaen-26-one
CID 134131077
ASGPR modulator-1
CID 134131084
20-Amino-22-methyl-6-(pyrazol-1-ylmethyl)-9,17-dioxa-1,21,25,29-tetrazatetracyclo[25.2.1.03,8.018,23]triaconta-3(8),4,6,13,18,20,22,27(30),28-nonaen-26-one
CID 134131303
N-(2,4-Dimethoxyphenyl)-6-(1H-pyrazol-1-yl)-3-pyridinecarboxamide
CID 4316546
N-((1-(3,5-Dimethoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)-2-(4-methoxyphenylamino) nicotinamide
CID 90681012
2-(2,4-dimethoxyanilino)-N-[[1-[(3,5-dimethoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide
CID 90681015
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(phenoxymethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 56835798
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)pyrazole-4-carboxamide
CID 56835863

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3,5-dimethoxyphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3,5-dimethoxyphenyl)methyl]pyrazole-4-carboxamide (CID 56836927) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3,5-dimethoxyphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3,5-dimethoxyphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3,5-dimethoxyphenyl)methyl]pyrazole-4-carboxamide is COc1cc(Cn2cc(C(=O)NCc3c(C)cc(N)nc3C)cn2)cc(OC)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3,5-dimethoxyphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is UTAJKCOBLAFYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-13-5-20(22)25-14(2)19(13)10-23-21(27)16-9-24-26(12-16)11-15-6-17(28-3)8-18(7-15)29-4/h5-9,12H,10-11H2,1-4H3,(H2,22,25)(H,23,27).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3,5-dimethoxyphenyl)methyl]pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3,5-dimethoxyphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3,5-dimethoxyphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56836927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).