N-[[(1S)-3-[(3-methoxyoxan-4-yl)amino]-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]methyl]-N-methyl-1,2-oxazole-5-carboxamide

C27H34F3N5O5 — CID 126748616

IUPACN-[[(1S)-3-[(3-methoxyoxan-4-yl)amino]-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]methyl]-N-methyl-1,2-oxazole-5-carboxamide
SMILESCOC1COCCC1NC1CC[C@](CN(C)C(=O)c2ccno2)(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1
InChIInChI=1S/C27H34F3N5O5/c1-34(24(36)22-4-8-32-40-22)16-26(7-3-19(12-26)33-21-6-10-39-15-23(21)38-2)25(37)35-9-5-20-17(14-35)11-18(13-31-20)27(28,29)30/h4,8,11,13,19,21,23,33H,3,5-7,9-10,12,14-16H2,1-2H3/t19?,21?,23?,26-/m0/s1
InChIKeyOMIJAMBOXWQJHE-QRNJQMQXSA-N
MW565.59 g/mol
LogP2.68
Rot. Bonds7

About N-[[(1S)-3-[(3-methoxyoxan-4-yl)amino]-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]methyl]-N-methyl-1,2-oxazole-5-carboxamide

N-[[(1S)-3-[(3-methoxyoxan-4-yl)amino]-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]methyl]-N-methyl-1,2-oxazole-5-carboxamide (PubChem CID 126748616) has the molecular formula C27H34F3N5O5 and a molecular weight of 565.59 g/mol. Its IUPAC name is N-[[(1S)-3-[(3-methoxyoxan-4-yl)amino]-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]methyl]-N-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(1S)-3-[(3-methoxyoxan-4-yl)amino]-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]methyl]-N-methyl-1,2-oxazole-5-carboxamide
PubChem CID126748616
Molecular FormulaC27H34F3N5O5
Molecular Weight565.59 g/mol
Exact Mass565.25
IUPAC NameN-[[(1S)-3-[(3-methoxyoxan-4-yl)amino]-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]methyl]-N-methyl-1,2-oxazole-5-carboxamide
SMILESCOC1COCCC1NC1CC[C@](CN(C)C(=O)c2ccno2)(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1
InChIInChI=1S/C27H34F3N5O5/c1-34(24(36)22-4-8-32-40-22)16-26(7-3-19(12-26)33-21-6-10-39-15-23(21)38-2)25(37)35-9-5-20-17(14-35)11-18(13-31-20)27(28,29)30/h4,8,11,13,19,21,23,33H,3,5-7,9-10,12,14-16H2,1-2H3/t19?,21?,23?,26-/m0/s1
InChIKeyOMIJAMBOXWQJHE-QRNJQMQXSA-N
XLogP2.68
TPSA110.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.59
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-3-[(3-methoxyoxan-4-yl)amino]-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]methyl]-N-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[(1S)-3-[(3-methoxyoxan-4-yl)amino]-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]methyl]-N-methyl-1,2-oxazole-5-carboxamide (CID 126748616) is N-[[(1S)-3-[(3-methoxyoxan-4-yl)amino]-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]methyl]-N-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[(1S)-3-[(3-methoxyoxan-4-yl)amino]-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]methyl]-N-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[(1S)-3-[(3-methoxyoxan-4-yl)amino]-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]methyl]-N-methyl-1,2-oxazole-5-carboxamide is COC1COCCC1NC1CC[C@](CN(C)C(=O)c2ccno2)(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1.
What is the InChIKey of N-[[(1S)-3-[(3-methoxyoxan-4-yl)amino]-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]methyl]-N-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is OMIJAMBOXWQJHE-QRNJQMQXSA-N. The full InChI is InChI=1S/C27H34F3N5O5/c1-34(24(36)22-4-8-32-40-22)16-26(7-3-19(12-26)33-21-6-10-39-15-23(21)38-2)25(37)35-9-5-20-17(14-35)11-18(13-31-20)27(28,29)30/h4,8,11,13,19,21,23,33H,3,5-7,9-10,12,14-16H2,1-2H3/t19?,21?,23?,26-/m0/s1.
What are the key properties of N-[[(1S)-3-[(3-methoxyoxan-4-yl)amino]-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]methyl]-N-methyl-1,2-oxazole-5-carboxamide?
N-[[(1S)-3-[(3-methoxyoxan-4-yl)amino]-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]methyl]-N-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 565.59 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-3-[(3-methoxyoxan-4-yl)amino]-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]methyl]-N-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 126748616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).