4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide;ethane

C23H33N5O3 — CID 166528438

IUPAC4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide;ethane
SMILESCC.CNC(=O)c1cc(NC(=O)c2c(C)c(C3CC3)nn2CC2CCOCC2)ccn1
InChIInChI=1S/C21H27N5O3.C2H6/c1-13-18(15-3-4-15)25-26(12-14-6-9-29-10-7-14)19(13)21(28)24-16-5-8-23-17(11-16)20(27)22-2;1-2/h5,8,11,14-15H,3-4,6-7,9-10,12H2,1-2H3,(H,22,27)(H,23,24,28);1-2H3
InChIKeyGUNFCZOXCCKYCS-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.53
Rot. Bonds6

About 4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide;ethane

4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide;ethane (PubChem CID 166528438) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is 4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide;ethane.

Molecular Properties

Compound Name4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide;ethane
PubChem CID166528438
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC Name4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide;ethane
SMILESCC.CNC(=O)c1cc(NC(=O)c2c(C)c(C3CC3)nn2CC2CCOCC2)ccn1
InChIInChI=1S/C21H27N5O3.C2H6/c1-13-18(15-3-4-15)25-26(12-14-6-9-29-10-7-14)19(13)21(28)24-16-5-8-23-17(11-16)20(27)22-2;1-2/h5,8,11,14-15H,3-4,6-7,9-10,12H2,1-2H3,(H,22,27)(H,23,24,28);1-2H3
InChIKeyGUNFCZOXCCKYCS-UHFFFAOYSA-N
XLogP3.53
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide;ethane?
The IUPAC name of 4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide;ethane (CID 166528438) is 4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide;ethane.
What is the SMILES notation for 4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide;ethane?
The canonical SMILES for 4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide;ethane is CC.CNC(=O)c1cc(NC(=O)c2c(C)c(C3CC3)nn2CC2CCOCC2)ccn1.
What is the InChIKey of 4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide;ethane?
The InChIKey is GUNFCZOXCCKYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3.C2H6/c1-13-18(15-3-4-15)25-26(12-14-6-9-29-10-7-14)19(13)21(28)24-16-5-8-23-17(11-16)20(27)22-2;1-2/h5,8,11,14-15H,3-4,6-7,9-10,12H2,1-2H3,(H,22,27)(H,23,24,28);1-2H3.
What are the key properties of 4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide;ethane?
4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide;ethane has a molecular weight of 427.55 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide;ethane is sourced from PubChem (CID 166528438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).