N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide

C22H22FN5O — CID 74232856

IUPACN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C22H22FN5O/c23-19-3-1-16(2-4-19)15-28-11-7-20(8-12-28)27-22(29)18-13-25-21(26-14-18)17-5-9-24-10-6-17/h1-6,9-10,13-14,20H,7-8,11-12,15H2,(H,27,29)
InChIKeyIIENSCIPOOOQBR-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.07
Rot. Bonds5

About N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 74232856) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID74232856
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C22H22FN5O/c23-19-3-1-16(2-4-19)15-28-11-7-20(8-12-28)27-22(29)18-13-25-21(26-14-18)17-5-9-24-10-6-17/h1-6,9-10,13-14,20H,7-8,11-12,15H2,(H,27,29)
InChIKeyIIENSCIPOOOQBR-UHFFFAOYSA-N
XLogP3.07
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
6-(3-fluorophenyl)-N-[1-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268686
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55959686
1-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 136578301
6-(3-fluorophenyl)-N-[1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268324
2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 126711751
4-fluoro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-4-ylbenzamide
CID 73437970
3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55960952
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea
CID 138998311
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55959532

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide (CID 74232856) is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide is O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cnc(-c2ccncc2)nc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is IIENSCIPOOOQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c23-19-3-1-16(2-4-19)15-28-11-7-20(8-12-28)27-22(29)18-13-25-21(26-14-18)17-5-9-24-10-6-17/h1-6,9-10,13-14,20H,7-8,11-12,15H2,(H,27,29).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 74232856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).