5-[4-(dimethylamino)phenyl]-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carboxamide

C22H27N5O2 — CID 99699350

IUPAC5-[4-(dimethylamino)phenyl]-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carboxamide
SMILESCOCCn1nc(C)c(NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)c1C
InChIInChI=1S/C22H27N5O2/c1-15-21(16(2)27(25-15)10-11-29-5)24-22(28)19-12-18(13-23-14-19)17-6-8-20(9-7-17)26(3)4/h6-9,12-14H,10-11H2,1-5H3,(H,24,28)
InChIKeyAJWOGKDJDFXKSE-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.53
Rot. Bonds7

About 5-[4-(dimethylamino)phenyl]-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carboxamide

5-[4-(dimethylamino)phenyl]-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carboxamide (PubChem CID 99699350) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carboxamide
PubChem CID99699350
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name5-[4-(dimethylamino)phenyl]-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carboxamide
SMILESCOCCn1nc(C)c(NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)c1C
InChIInChI=1S/C22H27N5O2/c1-15-21(16(2)27(25-15)10-11-29-5)24-22(28)19-12-18(13-23-14-19)17-6-8-20(9-7-17)26(3)4/h6-9,12-14H,10-11H2,1-5H3,(H,24,28)
InChIKeyAJWOGKDJDFXKSE-UHFFFAOYSA-N
XLogP3.53
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide
CID 166368586
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N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109227960
N-(2-amino-2-ethylbutyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
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CID 87108554
N-(3-amino-2-methylpropyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119998431
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CID 69400278
[5-[4-(dimethylamino)phenyl]-3-pyridinyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119648513
2-(2-chlorophenyl)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide
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3-(1,3-benzodioxol-5-yl)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]prop-2-ynamide
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4-(diethylamino)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide
CID 86850984
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carboxamide (CID 99699350) is 5-[4-(dimethylamino)phenyl]-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carboxamide is COCCn1nc(C)c(NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)c1C.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carboxamide?
The InChIKey is AJWOGKDJDFXKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-15-21(16(2)27(25-15)10-11-29-5)24-22(28)19-12-18(13-23-14-19)17-6-8-20(9-7-17)26(3)4/h6-9,12-14H,10-11H2,1-5H3,(H,24,28).
What are the key properties of 5-[4-(dimethylamino)phenyl]-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carboxamide?
5-[4-(dimethylamino)phenyl]-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 99699350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).