4-[[2-(5-chloro-2-fluorophenyl)-5-pyrrolidin-1-yl-4-pyridinyl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide

C24H25ClFN5O3 — CID 118211070

IUPAC4-[[2-(5-chloro-2-fluorophenyl)-5-pyrrolidin-1-yl-4-pyridinyl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
SMILESO=C(NC(CO)CO)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1N1CCCC1
InChIInChI=1S/C24H25ClFN5O3/c25-15-3-4-19(26)17(9-15)21-10-22(23(12-28-21)31-7-1-2-8-31)30-20-5-6-27-11-18(20)24(34)29-16(13-32)14-33/h3-6,9-12,16,32-33H,1-2,7-8,13-14H2,(H,29,34)(H,27,28,30)
InChIKeyFDMRIXRWLAMVEF-UHFFFAOYSA-N
MW485.95 g/mol
LogP3.36
Rot. Bonds8

About 4-[[2-(5-chloro-2-fluorophenyl)-5-pyrrolidin-1-yl-4-pyridinyl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide

4-[[2-(5-chloro-2-fluorophenyl)-5-pyrrolidin-1-yl-4-pyridinyl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide (PubChem CID 118211070) has the molecular formula C24H25ClFN5O3 and a molecular weight of 485.95 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-fluorophenyl)-5-pyrrolidin-1-yl-4-pyridinyl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-fluorophenyl)-5-pyrrolidin-1-yl-4-pyridinyl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
PubChem CID118211070
Molecular FormulaC24H25ClFN5O3
Molecular Weight485.95 g/mol
Exact Mass485.16
IUPAC Name4-[[2-(5-chloro-2-fluorophenyl)-5-pyrrolidin-1-yl-4-pyridinyl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
SMILESO=C(NC(CO)CO)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1N1CCCC1
InChIInChI=1S/C24H25ClFN5O3/c25-15-3-4-19(26)17(9-15)21-10-22(23(12-28-21)31-7-1-2-8-31)30-20-5-6-27-11-18(20)24(34)29-16(13-32)14-33/h3-6,9-12,16,32-33H,1-2,7-8,13-14H2,(H,29,34)(H,27,28,30)
InChIKeyFDMRIXRWLAMVEF-UHFFFAOYSA-N
XLogP3.36
TPSA110.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.95
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-5-pyrrolidin-1-yl-4-pyridinyl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-5-pyrrolidin-1-yl-4-pyridinyl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide (CID 118211070) is 4-[[2-(5-chloro-2-fluorophenyl)-5-pyrrolidin-1-yl-4-pyridinyl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-(5-chloro-2-fluorophenyl)-5-pyrrolidin-1-yl-4-pyridinyl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-[[2-(5-chloro-2-fluorophenyl)-5-pyrrolidin-1-yl-4-pyridinyl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide is O=C(NC(CO)CO)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1N1CCCC1.
What is the InChIKey of 4-[[2-(5-chloro-2-fluorophenyl)-5-pyrrolidin-1-yl-4-pyridinyl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide?
The InChIKey is FDMRIXRWLAMVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN5O3/c25-15-3-4-19(26)17(9-15)21-10-22(23(12-28-21)31-7-1-2-8-31)30-20-5-6-27-11-18(20)24(34)29-16(13-32)14-33/h3-6,9-12,16,32-33H,1-2,7-8,13-14H2,(H,29,34)(H,27,28,30).
What are the key properties of 4-[[2-(5-chloro-2-fluorophenyl)-5-pyrrolidin-1-yl-4-pyridinyl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide?
4-[[2-(5-chloro-2-fluorophenyl)-5-pyrrolidin-1-yl-4-pyridinyl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide has a molecular weight of 485.95 g/mol, XLogP of 3.36, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-2-fluorophenyl)-5-pyrrolidin-1-yl-4-pyridinyl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 118211070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).