4-(1-aminoethyl)-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide

C16H17N5O — CID 22120471

IUPAC4-(1-aminoethyl)-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
SMILESCc1cc(C(C)N)ccc1C(=O)Nc1ccnc2[nH]ncc12
InChIInChI=1S/C16H17N5O/c1-9-7-11(10(2)17)3-4-12(9)16(22)20-14-5-6-18-15-13(14)8-19-21-15/h3-8,10H,17H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyMSFHYXGIAMHPLE-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.54
Rot. Bonds3

About 4-(1-aminoethyl)-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide

4-(1-aminoethyl)-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide (PubChem CID 22120471) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-(1-aminoethyl)-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
PubChem CID22120471
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name4-(1-aminoethyl)-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
SMILESCc1cc(C(C)N)ccc1C(=O)Nc1ccnc2[nH]ncc12
InChIInChI=1S/C16H17N5O/c1-9-7-11(10(2)17)3-4-12(9)16(22)20-14-5-6-18-15-13(14)8-19-21-15/h3-8,10H,17H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyMSFHYXGIAMHPLE-UHFFFAOYSA-N
XLogP2.54
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminoethyl)-2-nitro-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;hydrate;dihydrobromide
CID 22120534
4-[(1R)-1-aminoethyl]-3-cyano-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 54159456
4-(1-amino-2-hydroxyethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrobromide
CID 142654986
2-azido-4-[(1R)-1-(diaminomethylideneamino)ethyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 57284338
4-(1-aminoethyl)-3-(furan-3-yl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 16665440
4-(aminomethyl)-3,5-dimethyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 22120510
4-[1-(1H-imidazol-2-yl)ethyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 22120587
(4R)-4-amino-6-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-2H-thiochromene-7-carboxamide
CID 69046895
4-[1-amino-2-(benzylamino)-2-oxoethyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 15982632
4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 70270729
4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrochloride
CID 70270728
methyl 4-[(1R)-1-aminoethyl]-2-methylbenzoate
CID 124539705

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide?
The IUPAC name of 4-(1-aminoethyl)-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide (CID 22120471) is 4-(1-aminoethyl)-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide.
What is the SMILES notation for 4-(1-aminoethyl)-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide?
The canonical SMILES for 4-(1-aminoethyl)-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide is Cc1cc(C(C)N)ccc1C(=O)Nc1ccnc2[nH]ncc12.
What is the InChIKey of 4-(1-aminoethyl)-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide?
The InChIKey is MSFHYXGIAMHPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-9-7-11(10(2)17)3-4-12(9)16(22)20-14-5-6-18-15-13(14)8-19-21-15/h3-8,10H,17H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 4-(1-aminoethyl)-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide?
4-(1-aminoethyl)-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide has a molecular weight of 295.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide is sourced from PubChem (CID 22120471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).