N-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide

C24H20F2N4O4 — CID 11634109

IUPACN-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide
SMILESO=C(NC1CC1)c1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1
InChIInChI=1S/C24H20F2N4O4/c25-24(26)33-20-8-7-16(12-21(20)34-24)30-22(31)17-3-1-2-4-18(17)28-13-14-9-10-27-19(11-14)23(32)29-15-5-6-15/h1-4,7-12,15,28H,5-6,13H2,(H,29,32)(H,30,31)
InChIKeyNCJGUXSHLPYQDR-UHFFFAOYSA-N
MW466.44 g/mol
LogP4.16
Rot. Bonds7

About N-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide

N-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide (PubChem CID 11634109) has the molecular formula C24H20F2N4O4 and a molecular weight of 466.44 g/mol. Its IUPAC name is N-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide
PubChem CID11634109
Molecular FormulaC24H20F2N4O4
Molecular Weight466.44 g/mol
Exact Mass466.15
IUPAC NameN-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide
SMILESO=C(NC1CC1)c1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1
InChIInChI=1S/C24H20F2N4O4/c25-24(26)33-20-8-7-16(12-21(20)34-24)30-22(31)17-3-1-2-4-18(17)28-13-14-9-10-27-19(11-14)23(32)29-15-5-6-15/h1-4,7-12,15,28H,5-6,13H2,(H,29,32)(H,30,31)
InChIKeyNCJGUXSHLPYQDR-UHFFFAOYSA-N
XLogP4.16
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.44
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide (CID 11634109) is N-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide is O=C(NC1CC1)c1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1.
What is the InChIKey of N-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide?
The InChIKey is NCJGUXSHLPYQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O4/c25-24(26)33-20-8-7-16(12-21(20)34-24)30-22(31)17-3-1-2-4-18(17)28-13-14-9-10-27-19(11-14)23(32)29-15-5-6-15/h1-4,7-12,15,28H,5-6,13H2,(H,29,32)(H,30,31).
What are the key properties of N-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide?
N-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide has a molecular weight of 466.44 g/mol, XLogP of 4.16, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 11634109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).