N-(2-cyclopropylpropyl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carboxamide

C20H21N5O — CID 68623634

IUPACN-(2-cyclopropylpropyl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCC(CNC(=O)c1cccc(-c2cnn(-c3cccnc3)c2)n1)C1CC1
InChIInChI=1S/C20H21N5O/c1-14(15-7-8-15)10-22-20(26)19-6-2-5-18(24-19)16-11-23-25(13-16)17-4-3-9-21-12-17/h2-6,9,11-15H,7-8,10H2,1H3,(H,22,26)
InChIKeyXHIJSOFTVUIALR-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.11
Rot. Bonds6

About N-(2-cyclopropylpropyl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carboxamide

N-(2-cyclopropylpropyl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 68623634) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(2-cyclopropylpropyl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylpropyl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID68623634
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-(2-cyclopropylpropyl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCC(CNC(=O)c1cccc(-c2cnn(-c3cccnc3)c2)n1)C1CC1
InChIInChI=1S/C20H21N5O/c1-14(15-7-8-15)10-22-20(26)19-6-2-5-18(24-19)16-11-23-25(13-16)17-4-3-9-21-12-17/h2-6,9,11-15H,7-8,10H2,1H3,(H,22,26)
InChIKeyXHIJSOFTVUIALR-UHFFFAOYSA-N
XLogP3.11
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropyl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2-cyclopropylpropyl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carboxamide (CID 68623634) is N-(2-cyclopropylpropyl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-cyclopropylpropyl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-cyclopropylpropyl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carboxamide is CC(CNC(=O)c1cccc(-c2cnn(-c3cccnc3)c2)n1)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropyl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is XHIJSOFTVUIALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14(15-7-8-15)10-22-20(26)19-6-2-5-18(24-19)16-11-23-25(13-16)17-4-3-9-21-12-17/h2-6,9,11-15H,7-8,10H2,1H3,(H,22,26).
What are the key properties of N-(2-cyclopropylpropyl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carboxamide?
N-(2-cyclopropylpropyl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropyl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 68623634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).