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

C21H27N5O3 — CID 166528439

IUPAC4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NC(=O)c2c(C)c(C3CC3)nn2CC2CCOCC2)ccn1
InChIInChI=1S/C21H27N5O3/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/h5,8,11,14-15H,3-4,6-7,9-10,12H2,1-2H3,(H,22,27)(H,23,24,28)
InChIKeyMQRXSPBPWYVWQC-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.50
Rot. Bonds6

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

4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 166528439) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide
PubChem CID166528439
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NC(=O)c2c(C)c(C3CC3)nn2CC2CCOCC2)ccn1
InChIInChI=1S/C21H27N5O3/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/h5,8,11,14-15H,3-4,6-7,9-10,12H2,1-2H3,(H,22,27)(H,23,24,28)
InChIKeyMQRXSPBPWYVWQC-UHFFFAOYSA-N
XLogP2.50
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.50
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?
The IUPAC name of 4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide (CID 166528439) is 4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide is 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?
The InChIKey is MQRXSPBPWYVWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/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/h5,8,11,14-15H,3-4,6-7,9-10,12H2,1-2H3,(H,22,27)(H,23,24,28).
What are the key properties of 4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide?
4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.50, 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 is sourced from PubChem (CID 166528439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).