6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxamide

C22H29FN4O3 — CID 24855392

IUPAC6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxamide
SMILESCCOc1cc(CN2CCC(Nc3ccc(C(N)=O)cn3)CC2)cc(OCC)c1F
InChIInChI=1S/C22H29FN4O3/c1-3-29-18-11-15(12-19(21(18)23)30-4-2)14-27-9-7-17(8-10-27)26-20-6-5-16(13-25-20)22(24)28/h5-6,11-13,17H,3-4,7-10,14H2,1-2H3,(H2,24,28)(H,25,26)
InChIKeyPOEIIKILWPRDJJ-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.19
Rot. Bonds9

About 6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxamide

6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxamide (PubChem CID 24855392) has the molecular formula C22H29FN4O3 and a molecular weight of 416.50 g/mol. Its IUPAC name is 6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxamide
PubChem CID24855392
Molecular FormulaC22H29FN4O3
Molecular Weight416.50 g/mol
Exact Mass416.22
IUPAC Name6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxamide
SMILESCCOc1cc(CN2CCC(Nc3ccc(C(N)=O)cn3)CC2)cc(OCC)c1F
InChIInChI=1S/C22H29FN4O3/c1-3-29-18-11-15(12-19(21(18)23)30-4-2)14-27-9-7-17(8-10-27)26-20-6-5-16(13-25-20)22(24)28/h5-6,11-13,17H,3-4,7-10,14H2,1-2H3,(H2,24,28)(H,25,26)
InChIKeyPOEIIKILWPRDJJ-UHFFFAOYSA-N
XLogP3.19
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5-methylsulfonylpyridin-2-amine
CID 67400612
methyl 5-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 67401247
2-[[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]amino]pyridine-4-carboxamide
CID 67398804
2-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]-1,3-benzoxazole-4-carboxamide
CID 66912430
methyl 6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylate
CID 24855171
5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine
CID 24855078
8-chloro-N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]quinolin-2-amine
CID 67400120
N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 24855588
methyl 2-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]-1,3-benzoxazole-4-carboxylate
CID 66912073
N-[1-[(4-bromo-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-5-(2H-tetrazol-5-yl)pyridin-2-amine
CID 24855587
methyl 5-[[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 67400938
3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propan-1-ol
CID 67401138

Frequently Asked Questions

What is the IUPAC name of 6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxamide (CID 24855392) is 6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxamide is CCOc1cc(CN2CCC(Nc3ccc(C(N)=O)cn3)CC2)cc(OCC)c1F.
What is the InChIKey of 6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxamide?
The InChIKey is POEIIKILWPRDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O3/c1-3-29-18-11-15(12-19(21(18)23)30-4-2)14-27-9-7-17(8-10-27)26-20-6-5-16(13-25-20)22(24)28/h5-6,11-13,17H,3-4,7-10,14H2,1-2H3,(H2,24,28)(H,25,26).
What are the key properties of 6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxamide?
6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 24855392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).