N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

C22H22FN5O2 — CID 55743828

IUPACN-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C22H22FN5O2/c23-18-3-6-20(7-4-18)30-21-8-5-19(15-25-21)26-22(29)28-12-10-27(11-13-28)16-17-2-1-9-24-14-17/h1-9,14-15H,10-13,16H2,(H,26,29)
InChIKeyNGJVXTWGKTXCPS-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.76
Rot. Bonds5

About N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 55743828) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
PubChem CID55743828
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C22H22FN5O2/c23-18-3-6-20(7-4-18)30-21-8-5-19(15-25-21)26-22(29)28-12-10-27(11-13-28)16-17-2-1-9-24-14-17/h1-9,14-15H,10-13,16H2,(H,26,29)
InChIKeyNGJVXTWGKTXCPS-UHFFFAOYSA-N
XLogP3.76
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(pyridin-3-ylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazine-1-carboxamide
CID 55743974
N-(3,4-difluorophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108549
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 52627337
4-(3-fluorobenzoyl)-N-(6-pyridin-3-yloxy-3-pyridinyl)piperazine-1-carboxamide
CID 25095036
N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149206
N-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 74224967
4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperazine-1-carboxamide
CID 127043919
N-(1-methyl-6-oxo-3-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 75462280
N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149102
N-(3-chloro-4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108509
N-[6-[4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-3-pyridinyl]acetamide
CID 143176119
3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 55835045

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (CID 55743828) is N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is NGJVXTWGKTXCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c23-18-3-6-20(7-4-18)30-21-8-5-19(15-25-21)26-22(29)28-12-10-27(11-13-28)16-17-2-1-9-24-14-17/h1-9,14-15H,10-13,16H2,(H,26,29).
What are the key properties of N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 55743828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).