N-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide

C25H27F2N5O3 — CID 151851266

IUPACN-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide
SMILESCOCc1cnc(N2CCN(Cc3ccc(F)cc3F)CC2)c(NC(=O)c2cccnc2OC)c1
InChIInChI=1S/C25H27F2N5O3/c1-34-16-17-12-22(30-24(33)20-4-3-7-28-25(20)35-2)23(29-14-17)32-10-8-31(9-11-32)15-18-5-6-19(26)13-21(18)27/h3-7,12-14H,8-11,15-16H2,1-2H3,(H,30,33)
InChIKeySISVQKZORNKNSC-UHFFFAOYSA-N
MW483.52 g/mol
LogP3.48
Rot. Bonds8

About N-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide

N-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide (PubChem CID 151851266) has the molecular formula C25H27F2N5O3 and a molecular weight of 483.52 g/mol. Its IUPAC name is N-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide
PubChem CID151851266
Molecular FormulaC25H27F2N5O3
Molecular Weight483.52 g/mol
Exact Mass483.21
IUPAC NameN-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide
SMILESCOCc1cnc(N2CCN(Cc3ccc(F)cc3F)CC2)c(NC(=O)c2cccnc2OC)c1
InChIInChI=1S/C25H27F2N5O3/c1-34-16-17-12-22(30-24(33)20-4-3-7-28-25(20)35-2)23(29-14-17)32-10-8-31(9-11-32)15-18-5-6-19(26)13-21(18)27/h3-7,12-14H,8-11,15-16H2,1-2H3,(H,30,33)
InChIKeySISVQKZORNKNSC-UHFFFAOYSA-N
XLogP3.48
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide (CID 151851266) is N-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide is COCc1cnc(N2CCN(Cc3ccc(F)cc3F)CC2)c(NC(=O)c2cccnc2OC)c1.
What is the InChIKey of N-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is SISVQKZORNKNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O3/c1-34-16-17-12-22(30-24(33)20-4-3-7-28-25(20)35-2)23(29-14-17)32-10-8-31(9-11-32)15-18-5-6-19(26)13-21(18)27/h3-7,12-14H,8-11,15-16H2,1-2H3,(H,30,33).
What are the key properties of N-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide?
N-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 483.52 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 151851266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).