N-(1-ethylpiperidin-4-yl)-6-[4-(2-methoxy-4-pyridinyl)pyrazol-1-yl]pyridine-3-carboxamide

C22H26N6O2 — CID 135129705

IUPACN-(1-ethylpiperidin-4-yl)-6-[4-(2-methoxy-4-pyridinyl)pyrazol-1-yl]pyridine-3-carboxamide
SMILESCCN1CCC(NC(=O)c2ccc(-n3cc(-c4ccnc(OC)c4)cn3)nc2)CC1
InChIInChI=1S/C22H26N6O2/c1-3-27-10-7-19(8-11-27)26-22(29)17-4-5-20(24-13-17)28-15-18(14-25-28)16-6-9-23-21(12-16)30-2/h4-6,9,12-15,19H,3,7-8,10-11H2,1-2H3,(H,26,29)
InChIKeyIFDFVWBZMXQWSG-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.55
Rot. Bonds6

About N-(1-ethylpiperidin-4-yl)-6-[4-(2-methoxy-4-pyridinyl)pyrazol-1-yl]pyridine-3-carboxamide

N-(1-ethylpiperidin-4-yl)-6-[4-(2-methoxy-4-pyridinyl)pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 135129705) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-6-[4-(2-methoxy-4-pyridinyl)pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-6-[4-(2-methoxy-4-pyridinyl)pyrazol-1-yl]pyridine-3-carboxamide
PubChem CID135129705
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN-(1-ethylpiperidin-4-yl)-6-[4-(2-methoxy-4-pyridinyl)pyrazol-1-yl]pyridine-3-carboxamide
SMILESCCN1CCC(NC(=O)c2ccc(-n3cc(-c4ccnc(OC)c4)cn3)nc2)CC1
InChIInChI=1S/C22H26N6O2/c1-3-27-10-7-19(8-11-27)26-22(29)17-4-5-20(24-13-17)28-15-18(14-25-28)16-6-9-23-21(12-16)30-2/h4-6,9,12-15,19H,3,7-8,10-11H2,1-2H3,(H,26,29)
InChIKeyIFDFVWBZMXQWSG-UHFFFAOYSA-N
XLogP2.55
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(2-methoxy-6-methyl-4-pyridinyl)pyrazol-1-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 144729678
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
ethyl 4-[(6-methoxypyridine-3-carbonyl)amino]piperidine-1-carboxylate
CID 31844781
N-cyclohexyl-2-methoxypyridine-4-carboxamide
CID 110848962
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
N-cyclohexyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 16654230
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
1-(1-ethylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)urea
CID 51081933
N-(1-ethylpiperidin-4-yl)-4-(pyridin-3-ylmethoxy)benzamide
CID 30853915
4-amino-N-(1-ethylpiperidin-4-yl)-3-methylbenzamide
CID 54915908
3,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 103907480
4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
CID 9091097

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-6-[4-(2-methoxy-4-pyridinyl)pyrazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-6-[4-(2-methoxy-4-pyridinyl)pyrazol-1-yl]pyridine-3-carboxamide (CID 135129705) is N-(1-ethylpiperidin-4-yl)-6-[4-(2-methoxy-4-pyridinyl)pyrazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-6-[4-(2-methoxy-4-pyridinyl)pyrazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-6-[4-(2-methoxy-4-pyridinyl)pyrazol-1-yl]pyridine-3-carboxamide is CCN1CCC(NC(=O)c2ccc(-n3cc(-c4ccnc(OC)c4)cn3)nc2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-6-[4-(2-methoxy-4-pyridinyl)pyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is IFDFVWBZMXQWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-3-27-10-7-19(8-11-27)26-22(29)17-4-5-20(24-13-17)28-15-18(14-25-28)16-6-9-23-21(12-16)30-2/h4-6,9,12-15,19H,3,7-8,10-11H2,1-2H3,(H,26,29).
What are the key properties of N-(1-ethylpiperidin-4-yl)-6-[4-(2-methoxy-4-pyridinyl)pyrazol-1-yl]pyridine-3-carboxamide?
N-(1-ethylpiperidin-4-yl)-6-[4-(2-methoxy-4-pyridinyl)pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-6-[4-(2-methoxy-4-pyridinyl)pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 135129705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).