N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

C20H21N5O2 — CID 31344415

IUPACN-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NCc3cccc(NC(=O)C4CC4)c3)cc12
InChIInChI=1S/C20H21N5O2/c1-12-17-9-15(11-21-18(17)25(2)24-12)19(26)22-10-13-4-3-5-16(8-13)23-20(27)14-6-7-14/h3-5,8-9,11,14H,6-7,10H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyGCMBKDQARMVWFN-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.56
Rot. Bonds5

About N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 31344415) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID31344415
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)NCc3cccc(NC(=O)C4CC4)c3)cc12
InChIInChI=1S/C20H21N5O2/c1-12-17-9-15(11-21-18(17)25(2)24-12)19(26)22-10-13-4-3-5-16(8-13)23-20(27)14-6-7-14/h3-5,8-9,11,14H,6-7,10H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyGCMBKDQARMVWFN-UHFFFAOYSA-N
XLogP2.56
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 30342481
1,3-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 34452654
1,3-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 34644381
N-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78845162
1,3-dimethyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 86956967
3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide
CID 46569381
N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 39997561
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 24597417
N-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31327880
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-(methanesulfonamido)benzamide
CID 41479014
4-(cyclopropanecarbonylamino)-N-[(3-methylphenyl)methyl]benzamide
CID 33279074
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 31344415) is N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)NCc3cccc(NC(=O)C4CC4)c3)cc12.
What is the InChIKey of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is GCMBKDQARMVWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-12-17-9-15(11-21-18(17)25(2)24-12)19(26)22-10-13-4-3-5-16(8-13)23-20(27)14-6-7-14/h3-5,8-9,11,14H,6-7,10H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 31344415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).