6-(3-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

C26H28FN5O — CID 67267469

IUPAC6-(3-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc3c(n2)NCCC3)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C26H28FN5O/c27-21-5-1-3-19(15-21)24-9-7-20(16-29-24)26(33)31-22-10-13-32(14-11-22)17-23-8-6-18-4-2-12-28-25(18)30-23/h1,3,5-9,15-16,22H,2,4,10-14,17H2,(H,28,30)(H,31,33)
InChIKeyBIYOHGQAQWNWNV-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.04
Rot. Bonds5

About 6-(3-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67267469) has the molecular formula C26H28FN5O and a molecular weight of 445.54 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID67267469
Molecular FormulaC26H28FN5O
Molecular Weight445.54 g/mol
Exact Mass445.23
IUPAC Name6-(3-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc3c(n2)NCCC3)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C26H28FN5O/c27-21-5-1-3-19(15-21)24-9-7-20(16-29-24)26(33)31-22-10-13-32(14-11-22)17-23-8-6-18-4-2-12-28-25(18)30-23/h1,3,5-9,15-16,22H,2,4,10-14,17H2,(H,28,30)(H,31,33)
InChIKeyBIYOHGQAQWNWNV-UHFFFAOYSA-N
XLogP4.04
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[2-[cyclohexyl(methyl)amino]pyrimidin-4-yl]methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67267152
6-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyridazine-3-carboxamide
CID 91187422
6-(3-fluorophenyl)-N-[1-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268686
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67267093
6-(3-fluorophenyl)-N-[1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268324
6-(3-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 67268004
6-(3-fluorophenyl)-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67267267
N-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67268195
6-(3-fluorophenyl)-N-[1-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268736
2-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyrazol-1-yl]acetic acid
CID 69295626
6-(3-fluorophenyl)-N-[1-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67267219
4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butylcarbamic acid
CID 67267712

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (CID 67267469) is 6-(3-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(Cc2ccc3c(n2)NCCC3)CC1)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is BIYOHGQAQWNWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O/c27-21-5-1-3-19(15-21)24-9-7-20(16-29-24)26(33)31-22-10-13-32(14-11-22)17-23-8-6-18-4-2-12-28-25(18)30-23/h1,3,5-9,15-16,22H,2,4,10-14,17H2,(H,28,30)(H,31,33).
What are the key properties of 6-(3-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67267469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).