(3S,4S)-4-amino-3-fluoro-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]piperidine-1-carboxamide

C18H19FN6O2 — CID 138589649

IUPAC(3S,4S)-4-amino-3-fluoro-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]piperidine-1-carboxamide
SMILESCc1ncc(-c2cc3cc(NC(=O)N4CC[C@H](N)[C@@H](F)C4)ncc3cn2)o1
InChIInChI=1S/C18H19FN6O2/c1-10-21-8-16(27-10)15-4-11-5-17(23-7-12(11)6-22-15)24-18(26)25-3-2-14(20)13(19)9-25/h4-8,13-14H,2-3,9,20H2,1H3,(H,23,24,26)/t13-,14-/m0/s1
InChIKeyJXRFABMSDWPWMQ-KBPBESRZSA-N
MW370.39 g/mol
LogP2.50
Rot. Bonds2

About (3S,4S)-4-amino-3-fluoro-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]piperidine-1-carboxamide

(3S,4S)-4-amino-3-fluoro-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]piperidine-1-carboxamide (PubChem CID 138589649) has the molecular formula C18H19FN6O2 and a molecular weight of 370.39 g/mol. Its IUPAC name is (3S,4S)-4-amino-3-fluoro-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-amino-3-fluoro-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]piperidine-1-carboxamide
PubChem CID138589649
Molecular FormulaC18H19FN6O2
Molecular Weight370.39 g/mol
Exact Mass370.16
IUPAC Name(3S,4S)-4-amino-3-fluoro-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]piperidine-1-carboxamide
SMILESCc1ncc(-c2cc3cc(NC(=O)N4CC[C@H](N)[C@@H](F)C4)ncc3cn2)o1
InChIInChI=1S/C18H19FN6O2/c1-10-21-8-16(27-10)15-4-11-5-17(23-7-12(11)6-22-15)24-18(26)25-3-2-14(20)13(19)9-25/h4-8,13-14H,2-3,9,20H2,1H3,(H,23,24,26)/t13-,14-/m0/s1
InChIKeyJXRFABMSDWPWMQ-KBPBESRZSA-N
XLogP2.50
TPSA110.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]piperidine-1-carboxamide
CID 138605092
1-[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
CID 148771376
(1S,5R)-3-(2,2-difluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138586912
(3R,4R)-4-amino-3-fluoro-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]piperidine-1-carboxamide
CID 138559085
N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]-2-piperidin-1-ylacetamide
CID 138590602
N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylpropanamide
CID 138590073
4-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138587469
N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide
CID 138559178
4-amino-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 138559188
(3R,4S)-4-amino-3-fluoro-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]piperidine-1-carboxamide
CID 138591346
4-(1,3-difluoropropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide
CID 138588241
3-(1,3-difluoropropan-2-ylamino)-N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138604857

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-amino-3-fluoro-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]piperidine-1-carboxamide?
The IUPAC name of (3S,4S)-4-amino-3-fluoro-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]piperidine-1-carboxamide (CID 138589649) is (3S,4S)-4-amino-3-fluoro-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3S,4S)-4-amino-3-fluoro-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for (3S,4S)-4-amino-3-fluoro-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]piperidine-1-carboxamide is Cc1ncc(-c2cc3cc(NC(=O)N4CC[C@H](N)[C@@H](F)C4)ncc3cn2)o1.
What is the InChIKey of (3S,4S)-4-amino-3-fluoro-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]piperidine-1-carboxamide?
The InChIKey is JXRFABMSDWPWMQ-KBPBESRZSA-N. The full InChI is InChI=1S/C18H19FN6O2/c1-10-21-8-16(27-10)15-4-11-5-17(23-7-12(11)6-22-15)24-18(26)25-3-2-14(20)13(19)9-25/h4-8,13-14H,2-3,9,20H2,1H3,(H,23,24,26)/t13-,14-/m0/s1.
What are the key properties of (3S,4S)-4-amino-3-fluoro-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]piperidine-1-carboxamide?
(3S,4S)-4-amino-3-fluoro-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]piperidine-1-carboxamide has a molecular weight of 370.39 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-amino-3-fluoro-N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 138589649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).