N-(4-fluorophenyl)-2-[2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]acetamide

C23H24FN5O — CID 110252151

IUPACN-(4-fluorophenyl)-2-[2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]acetamide
SMILESCc1cccnc1Nc1ccc(C2CCCN2CC(=O)Nc2ccc(F)cc2)nc1
InChIInChI=1S/C23H24FN5O/c1-16-4-2-12-25-23(16)28-19-10-11-20(26-14-19)21-5-3-13-29(21)15-22(30)27-18-8-6-17(24)7-9-18/h2,4,6-12,14,21H,3,5,13,15H2,1H3,(H,25,28)(H,27,30)
InChIKeyPQHLOEAEKPAYER-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.44
Rot. Bonds6

About N-(4-fluorophenyl)-2-[2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]acetamide

N-(4-fluorophenyl)-2-[2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]acetamide (PubChem CID 110252151) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]acetamide
PubChem CID110252151
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC NameN-(4-fluorophenyl)-2-[2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]acetamide
SMILESCc1cccnc1Nc1ccc(C2CCCN2CC(=O)Nc2ccc(F)cc2)nc1
InChIInChI=1S/C23H24FN5O/c1-16-4-2-12-25-23(16)28-19-10-11-20(26-14-19)21-5-3-13-29(21)15-22(30)27-18-8-6-17(24)7-9-18/h2,4,6-12,14,21H,3,5,13,15H2,1H3,(H,25,28)(H,27,30)
InChIKeyPQHLOEAEKPAYER-UHFFFAOYSA-N
XLogP4.44
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]acetamide (CID 110252151) is N-(4-fluorophenyl)-2-[2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]acetamide is Cc1cccnc1Nc1ccc(C2CCCN2CC(=O)Nc2ccc(F)cc2)nc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]acetamide?
The InChIKey is PQHLOEAEKPAYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-16-4-2-12-25-23(16)28-19-10-11-20(26-14-19)21-5-3-13-29(21)15-22(30)27-18-8-6-17(24)7-9-18/h2,4,6-12,14,21H,3,5,13,15H2,1H3,(H,25,28)(H,27,30).
What are the key properties of N-(4-fluorophenyl)-2-[2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]acetamide has a molecular weight of 405.48 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 110252151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).