6-[5-[[2-[2-[[6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carbonyl]amino]butyl]cyclopropyl]carbamoyl]-3-fluoro-2-methylphenyl]-N-(2-methylpropyl)pyridine-3-carboxamide

C42H46F2N6O4 — CID 135293953

IUPAC6-[5-[[2-[2-[[6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carbonyl]amino]butyl]cyclopropyl]carbamoyl]-3-fluoro-2-methylphenyl]-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCCC(CC1CC1NC(=O)c1cc(F)c(C)c(-c2ccc(C(=O)NCC(C)C)cn2)c1)NC(=O)c1ccc(-c2cc(C(=O)NC3CC3)cc(F)c2C)nc1
InChIInChI=1S/C42H46F2N6O4/c1-6-30(48-40(52)26-8-12-37(46-21-26)32-14-28(16-34(43)23(32)4)41(53)49-31-9-10-31)13-27-18-38(27)50-42(54)29-15-33(24(5)35(44)17-29)36-11-7-25(20-45-36)39(51)47-19-22(2)3/h7-8,11-12,14-17,20-22,27,30-31,38H,6,9-10,13,18-19H2,1-5H3,(H,47,51)(H,48,52)(H,49,53)(H,50,54)
InChIKeyRAMKTMZMBKAUSX-UHFFFAOYSA-N
MW736.86 g/mol
LogP6.70
Rot. Bonds14

About 6-[5-[[2-[2-[[6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carbonyl]amino]butyl]cyclopropyl]carbamoyl]-3-fluoro-2-methylphenyl]-N-(2-methylpropyl)pyridine-3-carboxamide

6-[5-[[2-[2-[[6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carbonyl]amino]butyl]cyclopropyl]carbamoyl]-3-fluoro-2-methylphenyl]-N-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 135293953) has the molecular formula C42H46F2N6O4 and a molecular weight of 736.86 g/mol. Its IUPAC name is 6-[5-[[2-[2-[[6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carbonyl]amino]butyl]cyclopropyl]carbamoyl]-3-fluoro-2-methylphenyl]-N-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-[[2-[2-[[6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carbonyl]amino]butyl]cyclopropyl]carbamoyl]-3-fluoro-2-methylphenyl]-N-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID135293953
Molecular FormulaC42H46F2N6O4
Molecular Weight736.86 g/mol
Exact Mass736.35
IUPAC Name6-[5-[[2-[2-[[6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carbonyl]amino]butyl]cyclopropyl]carbamoyl]-3-fluoro-2-methylphenyl]-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCCC(CC1CC1NC(=O)c1cc(F)c(C)c(-c2ccc(C(=O)NCC(C)C)cn2)c1)NC(=O)c1ccc(-c2cc(C(=O)NC3CC3)cc(F)c2C)nc1
InChIInChI=1S/C42H46F2N6O4/c1-6-30(48-40(52)26-8-12-37(46-21-26)32-14-28(16-34(43)23(32)4)41(53)49-31-9-10-31)13-27-18-38(27)50-42(54)29-15-33(24(5)35(44)17-29)36-11-7-25(20-45-36)39(51)47-19-22(2)3/h7-8,11-12,14-17,20-22,27,30-31,38H,6,9-10,13,18-19H2,1-5H3,(H,47,51)(H,48,52)(H,49,53)(H,50,54)
InChIKeyRAMKTMZMBKAUSX-UHFFFAOYSA-N
XLogP6.70
TPSA142.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.86
LogP ≤ 56.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[5-[[2-[2-[[6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carbonyl]amino]butyl]cyclopropyl]carbamoyl]-3-fluoro-2-methylphenyl]-N-(2-methylpropyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[[2-[2-[[6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carbonyl]amino]butyl]cyclopropyl]carbamoyl]-3-fluoro-2-methylphenyl]-N-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-[5-[[2-[2-[[6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carbonyl]amino]butyl]cyclopropyl]carbamoyl]-3-fluoro-2-methylphenyl]-N-(2-methylpropyl)pyridine-3-carboxamide (CID 135293953) is 6-[5-[[2-[2-[[6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carbonyl]amino]butyl]cyclopropyl]carbamoyl]-3-fluoro-2-methylphenyl]-N-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[5-[[2-[2-[[6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carbonyl]amino]butyl]cyclopropyl]carbamoyl]-3-fluoro-2-methylphenyl]-N-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[5-[[2-[2-[[6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carbonyl]amino]butyl]cyclopropyl]carbamoyl]-3-fluoro-2-methylphenyl]-N-(2-methylpropyl)pyridine-3-carboxamide is CCC(CC1CC1NC(=O)c1cc(F)c(C)c(-c2ccc(C(=O)NCC(C)C)cn2)c1)NC(=O)c1ccc(-c2cc(C(=O)NC3CC3)cc(F)c2C)nc1.
What is the InChIKey of 6-[5-[[2-[2-[[6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carbonyl]amino]butyl]cyclopropyl]carbamoyl]-3-fluoro-2-methylphenyl]-N-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is RAMKTMZMBKAUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H46F2N6O4/c1-6-30(48-40(52)26-8-12-37(46-21-26)32-14-28(16-34(43)23(32)4)41(53)49-31-9-10-31)13-27-18-38(27)50-42(54)29-15-33(24(5)35(44)17-29)36-11-7-25(20-45-36)39(51)47-19-22(2)3/h7-8,11-12,14-17,20-22,27,30-31,38H,6,9-10,13,18-19H2,1-5H3,(H,47,51)(H,48,52)(H,49,53)(H,50,54).
What are the key properties of 6-[5-[[2-[2-[[6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carbonyl]amino]butyl]cyclopropyl]carbamoyl]-3-fluoro-2-methylphenyl]-N-(2-methylpropyl)pyridine-3-carboxamide?
6-[5-[[2-[2-[[6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carbonyl]amino]butyl]cyclopropyl]carbamoyl]-3-fluoro-2-methylphenyl]-N-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 736.86 g/mol, XLogP of 6.70, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[[2-[2-[[6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carbonyl]amino]butyl]cyclopropyl]carbamoyl]-3-fluoro-2-methylphenyl]-N-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 135293953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).