5-[(2-methoxy-3-pyridinyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C16H21N5O2 — CID 97388927

IUPAC5-[(2-methoxy-3-pyridinyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ncccc1CN1CCc2[nH]nc(C(=O)N(C)C)c2C1
InChIInChI=1S/C16H21N5O2/c1-20(2)16(22)14-12-10-21(8-6-13(12)18-19-14)9-11-5-4-7-17-15(11)23-3/h4-5,7H,6,8-10H2,1-3H3,(H,18,19)
InChIKeyKUQMNBIPRFTQMH-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.07
Rot. Bonds4

About 5-[(2-methoxy-3-pyridinyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-[(2-methoxy-3-pyridinyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 97388927) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-[(2-methoxy-3-pyridinyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxy-3-pyridinyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID97388927
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name5-[(2-methoxy-3-pyridinyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ncccc1CN1CCc2[nH]nc(C(=O)N(C)C)c2C1
InChIInChI=1S/C16H21N5O2/c1-20(2)16(22)14-12-10-21(8-6-13(12)18-19-14)9-11-5-4-7-17-15(11)23-3/h4-5,7H,6,8-10H2,1-3H3,(H,18,19)
InChIKeyKUQMNBIPRFTQMH-UHFFFAOYSA-N
XLogP1.07
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-3-pyridinyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[(2-methoxy-3-pyridinyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 97388927) is 5-[(2-methoxy-3-pyridinyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2-methoxy-3-pyridinyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[(2-methoxy-3-pyridinyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is COc1ncccc1CN1CCc2[nH]nc(C(=O)N(C)C)c2C1.
What is the InChIKey of 5-[(2-methoxy-3-pyridinyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is KUQMNBIPRFTQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-20(2)16(22)14-12-10-21(8-6-13(12)18-19-14)9-11-5-4-7-17-15(11)23-3/h4-5,7H,6,8-10H2,1-3H3,(H,18,19).
What are the key properties of 5-[(2-methoxy-3-pyridinyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-[(2-methoxy-3-pyridinyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-3-pyridinyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 97388927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).