6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile

C14H17N5O — CID 133445330

IUPAC6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile
SMILESCCc1nn(C)c(OC)c1CNc1ccc(C#N)cn1
InChIInChI=1S/C14H17N5O/c1-4-12-11(14(20-3)19(2)18-12)9-17-13-6-5-10(7-15)8-16-13/h5-6,8H,4,9H2,1-3H3,(H,16,17)
InChIKeyQYBOEBDELTWVSQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.87
Rot. Bonds5

About 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile

6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile (PubChem CID 133445330) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile
PubChem CID133445330
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile
SMILESCCc1nn(C)c(OC)c1CNc1ccc(C#N)cn1
InChIInChI=1S/C14H17N5O/c1-4-12-11(14(20-3)19(2)18-12)9-17-13-6-5-10(7-15)8-16-13/h5-6,8H,4,9H2,1-3H3,(H,16,17)
InChIKeyQYBOEBDELTWVSQ-UHFFFAOYSA-N
XLogP1.87
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 133445612
6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133445721
3-chloro-2-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]benzonitrile
CID 133445623
4-chloro-2-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]benzonitrile
CID 133445835
methyl 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridazine-3-carboxylate
CID 133445681
6-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile
CID 82873499
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]benzonitrile
CID 86792690
N-(3,4-difluorophenyl)-6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-sulfonamide
CID 133445569
N-(5-cyano-2-pyridinyl)-3,5-diethyl-1-methylpyrazole-4-sulfonamide
CID 84592671
3-cyclopropyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133445550
4-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
CID 133445534
6-[(4,5-dichloro-1-methylpyrrol-2-yl)methylamino]pyridine-3-carbonitrile
CID 133380342

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile (CID 133445330) is 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile is CCc1nn(C)c(OC)c1CNc1ccc(C#N)cn1.
What is the InChIKey of 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile?
The InChIKey is QYBOEBDELTWVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-4-12-11(14(20-3)19(2)18-12)9-17-13-6-5-10(7-15)8-16-13/h5-6,8H,4,9H2,1-3H3,(H,16,17).
What are the key properties of 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile?
6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile has a molecular weight of 271.32 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 133445330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).