8-fluoro-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]quinoline-2-carboxamide

C20H20FN5O — CID 97138878

IUPAC8-fluoro-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]quinoline-2-carboxamide
SMILESO=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1ccc2cccc(F)c2n1
InChIInChI=1S/C20H20FN5O/c21-16-6-1-5-15-7-8-17(25-18(15)16)19(27)24-12-14-4-2-11-26(13-14)20-22-9-3-10-23-20/h1,3,5-10,14H,2,4,11-13H2,(H,24,27)/t14-/m0/s1
InChIKeyJBQZEGMABZBFCN-AWEZNQCLSA-N
MW365.41 g/mol
LogP2.81
Rot. Bonds4

About 8-fluoro-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]quinoline-2-carboxamide

8-fluoro-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]quinoline-2-carboxamide (PubChem CID 97138878) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 8-fluoro-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]quinoline-2-carboxamide
PubChem CID97138878
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name8-fluoro-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]quinoline-2-carboxamide
SMILESO=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1ccc2cccc(F)c2n1
InChIInChI=1S/C20H20FN5O/c21-16-6-1-5-15-7-8-17(25-18(15)16)19(27)24-12-14-4-2-11-26(13-14)20-22-9-3-10-23-20/h1,3,5-10,14H,2,4,11-13H2,(H,24,27)/t14-/m0/s1
InChIKeyJBQZEGMABZBFCN-AWEZNQCLSA-N
XLogP2.81
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide
CID 90652236
4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 90649799
N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide
CID 77088126
N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide
CID 90621816
N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 99928341
5-chloro-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 90648732
2-[3-(2-aminoethoxy)phenyl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide
CID 118795123
3-oxo-N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 99939662
8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide
CID 70785399
N-(3-cyclopentyloxypropyl)-8-fluoroquinoline-2-carboxamide
CID 77096220
N-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 155964517
[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methylcarbamic acid
CID 68730055

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]quinoline-2-carboxamide?
The IUPAC name of 8-fluoro-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]quinoline-2-carboxamide (CID 97138878) is 8-fluoro-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for 8-fluoro-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]quinoline-2-carboxamide?
The canonical SMILES for 8-fluoro-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]quinoline-2-carboxamide is O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1ccc2cccc(F)c2n1.
What is the InChIKey of 8-fluoro-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]quinoline-2-carboxamide?
The InChIKey is JBQZEGMABZBFCN-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20FN5O/c21-16-6-1-5-15-7-8-17(25-18(15)16)19(27)24-12-14-4-2-11-26(13-14)20-22-9-3-10-23-20/h1,3,5-10,14H,2,4,11-13H2,(H,24,27)/t14-/m0/s1.
What are the key properties of 8-fluoro-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]quinoline-2-carboxamide?
8-fluoro-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]quinoline-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 97138878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).