N,2-dimethyl-N-[[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]methyl]propanamide

C19H24N4O2 — CID 71873976

IUPACN,2-dimethyl-N-[[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]methyl]propanamide
SMILESCC(C)C(=O)N(C)Cc1ccc(C(=O)N2CCc3[nH]ncc3C2)cc1
InChIInChI=1S/C19H24N4O2/c1-13(2)18(24)22(3)11-14-4-6-15(7-5-14)19(25)23-9-8-17-16(12-23)10-20-21-17/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,20,21)
InChIKeyAOSUGVPWIZSPEP-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.22
Rot. Bonds4

About N,2-dimethyl-N-[[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]methyl]propanamide

N,2-dimethyl-N-[[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]methyl]propanamide (PubChem CID 71873976) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N,2-dimethyl-N-[[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]methyl]propanamide
PubChem CID71873976
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN,2-dimethyl-N-[[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]methyl]propanamide
SMILESCC(C)C(=O)N(C)Cc1ccc(C(=O)N2CCc3[nH]ncc3C2)cc1
InChIInChI=1S/C19H24N4O2/c1-13(2)18(24)22(3)11-14-4-6-15(7-5-14)19(25)23-9-8-17-16(12-23)10-20-21-17/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,20,21)
InChIKeyAOSUGVPWIZSPEP-UHFFFAOYSA-N
XLogP2.22
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]methyl]propanamide?
The IUPAC name of N,2-dimethyl-N-[[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]methyl]propanamide (CID 71873976) is N,2-dimethyl-N-[[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]methyl]propanamide.
What is the SMILES notation for N,2-dimethyl-N-[[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]methyl]propanamide?
The canonical SMILES for N,2-dimethyl-N-[[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]methyl]propanamide is CC(C)C(=O)N(C)Cc1ccc(C(=O)N2CCc3[nH]ncc3C2)cc1.
What is the InChIKey of N,2-dimethyl-N-[[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]methyl]propanamide?
The InChIKey is AOSUGVPWIZSPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(2)18(24)22(3)11-14-4-6-15(7-5-14)19(25)23-9-8-17-16(12-23)10-20-21-17/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,20,21).
What are the key properties of N,2-dimethyl-N-[[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]methyl]propanamide?
N,2-dimethyl-N-[[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]methyl]propanamide has a molecular weight of 340.43 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]methyl]propanamide is sourced from PubChem (CID 71873976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).