1-[[3-[carbamoyl(pyridin-3-yl)amino]-5-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide

C20H24FN5O2 — CID 56840367

IUPAC1-[[3-[carbamoyl(pyridin-3-yl)amino]-5-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2cc(F)cc(N(C(N)=O)c3cccnc3)c2)CC1
InChIInChI=1S/C20H24FN5O2/c1-23-19(27)15-4-7-25(8-5-15)13-14-9-16(21)11-18(10-14)26(20(22)28)17-3-2-6-24-12-17/h2-3,6,9-12,15H,4-5,7-8,13H2,1H3,(H2,22,28)(H,23,27)
InChIKeyOHKGPNIZSKELPF-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.40
Rot. Bonds5

About 1-[[3-[carbamoyl(pyridin-3-yl)amino]-5-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide

1-[[3-[carbamoyl(pyridin-3-yl)amino]-5-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 56840367) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 1-[[3-[carbamoyl(pyridin-3-yl)amino]-5-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-[carbamoyl(pyridin-3-yl)amino]-5-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide
PubChem CID56840367
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name1-[[3-[carbamoyl(pyridin-3-yl)amino]-5-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2cc(F)cc(N(C(N)=O)c3cccnc3)c2)CC1
InChIInChI=1S/C20H24FN5O2/c1-23-19(27)15-4-7-25(8-5-15)13-14-9-16(21)11-18(10-14)26(20(22)28)17-3-2-6-24-12-17/h2-3,6,9-12,15H,4-5,7-8,13H2,1H3,(H2,22,28)(H,23,27)
InChIKeyOHKGPNIZSKELPF-UHFFFAOYSA-N
XLogP2.40
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]methyl]-5-fluorophenyl]-1-pyridin-3-ylurea
CID 56838843
1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 40921983
1-[3-[[(3S)-3-[ethylsulfonyl(methyl)amino]pyrrolidin-1-yl]methyl]-5-fluorophenyl]-1-(6-methyl-3-pyridinyl)urea
CID 56838203
1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 27234910
CID 140622444
CID 140622444
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
N-methyl-1-[[6-(methylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 55046042
methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 142605380
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 43576079
1-[(3-fluorophenyl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479400
ethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate
CID 113470964
1-[(4-fluoronaphthalen-1-yl)methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 167936968

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[carbamoyl(pyridin-3-yl)amino]-5-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[[3-[carbamoyl(pyridin-3-yl)amino]-5-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide (CID 56840367) is 1-[[3-[carbamoyl(pyridin-3-yl)amino]-5-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-[carbamoyl(pyridin-3-yl)amino]-5-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[3-[carbamoyl(pyridin-3-yl)amino]-5-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(Cc2cc(F)cc(N(C(N)=O)c3cccnc3)c2)CC1.
What is the InChIKey of 1-[[3-[carbamoyl(pyridin-3-yl)amino]-5-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is OHKGPNIZSKELPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-23-19(27)15-4-7-25(8-5-15)13-14-9-16(21)11-18(10-14)26(20(22)28)17-3-2-6-24-12-17/h2-3,6,9-12,15H,4-5,7-8,13H2,1H3,(H2,22,28)(H,23,27).
What are the key properties of 1-[[3-[carbamoyl(pyridin-3-yl)amino]-5-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide?
1-[[3-[carbamoyl(pyridin-3-yl)amino]-5-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[carbamoyl(pyridin-3-yl)amino]-5-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 56840367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).