5-hex-1-ynyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide

C24H26N4O2 — CID 3857340

IUPAC5-hex-1-ynyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide
SMILESCCCCC#Cc1cncc(C(=O)Nc2cnn(CCOCc3ccccc3)c2)c1
InChIInChI=1S/C24H26N4O2/c1-2-3-4-6-11-21-14-22(16-25-15-21)24(29)27-23-17-26-28(18-23)12-13-30-19-20-9-7-5-8-10-20/h5,7-10,14-18H,2-4,12-13,19H2,1H3,(H,27,29)
InChIKeySUYMXPBBLPREMV-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.29
Rot. Bonds9

About 5-hex-1-ynyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide

5-hex-1-ynyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide (PubChem CID 3857340) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 5-hex-1-ynyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-hex-1-ynyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide
PubChem CID3857340
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name5-hex-1-ynyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide
SMILESCCCCC#Cc1cncc(C(=O)Nc2cnn(CCOCc3ccccc3)c2)c1
InChIInChI=1S/C24H26N4O2/c1-2-3-4-6-11-21-14-22(16-25-15-21)24(29)27-23-17-26-28(18-23)12-13-30-19-20-9-7-5-8-10-20/h5,7-10,14-18H,2-4,12-13,19H2,1H3,(H,27,29)
InChIKeySUYMXPBBLPREMV-UHFFFAOYSA-N
XLogP4.29
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-hex-1-ynyl-N-prop-2-ynylpyridine-3-carboxamide
CID 3852765
7-methoxy-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-1-benzofuran-2-carboxamide
CID 4994962
1-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]ethanone
CID 122240899
1-[(3,4-dichlorophenyl)methyl]-3-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]urea
CID 5164506
3-chloro-4-methylsulfonyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 3764669
methyl 6-[(5-hex-1-ynylpyridine-3-carbonyl)amino]hexanoate
CID 3710858
ethyl 5-[4-(phenylmethoxycarbonylamino)but-1-ynyl]pyridine-3-carboxylate
CID 170463191
2-methyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 3404846
5-N-(4-phenylmethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101290
N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-5-hex-1-ynylpyridine-3-carboxamide
CID 74227684
5-(butylamino)-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 109224692
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]acetamide
CID 3788448

Frequently Asked Questions

What is the IUPAC name of 5-hex-1-ynyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 5-hex-1-ynyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide (CID 3857340) is 5-hex-1-ynyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-hex-1-ynyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-hex-1-ynyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide is CCCCC#Cc1cncc(C(=O)Nc2cnn(CCOCc3ccccc3)c2)c1.
What is the InChIKey of 5-hex-1-ynyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide?
The InChIKey is SUYMXPBBLPREMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-2-3-4-6-11-21-14-22(16-25-15-21)24(29)27-23-17-26-28(18-23)12-13-30-19-20-9-7-5-8-10-20/h5,7-10,14-18H,2-4,12-13,19H2,1H3,(H,27,29).
What are the key properties of 5-hex-1-ynyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide?
5-hex-1-ynyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hex-1-ynyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 3857340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).