N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]pyridine-4-carboxamide;dihydrochloride

C20H21Cl2N5O — CID 67198960

IUPACN-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]pyridine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)nc1)c1ccncc1
InChIInChI=1S/C20H19N5O.2ClH/c26-20(15-7-9-21-10-8-15)23-16-5-6-19(22-12-16)25-18(14-3-4-14)11-17(24-25)13-1-2-13;;/h5-14H,1-4H2,(H,23,26);2*1H
InChIKeyMGSNXBOSPYMSDY-UHFFFAOYSA-N
MW418.33 g/mol
LogP4.51
Rot. Bonds5

About N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]pyridine-4-carboxamide;dihydrochloride

N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]pyridine-4-carboxamide;dihydrochloride (PubChem CID 67198960) has the molecular formula C20H21Cl2N5O and a molecular weight of 418.33 g/mol. Its IUPAC name is N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]pyridine-4-carboxamide;dihydrochloride
PubChem CID67198960
Molecular FormulaC20H21Cl2N5O
Molecular Weight418.33 g/mol
Exact Mass417.11
IUPAC NameN-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]pyridine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)nc1)c1ccncc1
InChIInChI=1S/C20H19N5O.2ClH/c26-20(15-7-9-21-10-8-15)23-16-5-6-19(22-12-16)25-18(14-3-4-14)11-17(24-25)13-1-2-13;;/h5-14H,1-4H2,(H,23,26);2*1H
InChIKeyMGSNXBOSPYMSDY-UHFFFAOYSA-N
XLogP4.51
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.33
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]pyridine-4-carboxamide;dihydrochloride (CID 67198960) is N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]pyridine-4-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)nc1)c1ccncc1.
What is the InChIKey of N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is MGSNXBOSPYMSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O.2ClH/c26-20(15-7-9-21-10-8-15)23-16-5-6-19(22-12-16)25-18(14-3-4-14)11-17(24-25)13-1-2-13;;/h5-14H,1-4H2,(H,23,26);2*1H.
What are the key properties of N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]pyridine-4-carboxamide;dihydrochloride?
N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 418.33 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 67198960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).