tert-butyl N-[(2S)-3-(dimethylamino)-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]-3-oxopropyl]carbamate

C20H31N5O4 — CID 58893756

IUPACtert-butyl N-[(2S)-3-(dimethylamino)-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]-3-oxopropyl]carbamate
SMILESCN1CCc2nc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)N(C)C)ccc2C1
InChIInChI=1S/C20H31N5O4/c1-20(2,3)29-19(28)21-11-16(18(27)24(4)5)23-17(26)15-8-7-13-12-25(6)10-9-14(13)22-15/h7-8,16H,9-12H2,1-6H3,(H,21,28)(H,23,26)/t16-/m0/s1
InChIKeyDBRDZJZBBYGYKX-INIZCTEOSA-N
MW405.50 g/mol
LogP0.78
Rot. Bonds5

About tert-butyl N-[(2S)-3-(dimethylamino)-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]-3-oxopropyl]carbamate

tert-butyl N-[(2S)-3-(dimethylamino)-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]-3-oxopropyl]carbamate (PubChem CID 58893756) has the molecular formula C20H31N5O4 and a molecular weight of 405.50 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3-(dimethylamino)-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-3-(dimethylamino)-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]-3-oxopropyl]carbamate
PubChem CID58893756
Molecular FormulaC20H31N5O4
Molecular Weight405.50 g/mol
Exact Mass405.24
IUPAC Nametert-butyl N-[(2S)-3-(dimethylamino)-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]-3-oxopropyl]carbamate
SMILESCN1CCc2nc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)N(C)C)ccc2C1
InChIInChI=1S/C20H31N5O4/c1-20(2,3)29-19(28)21-11-16(18(27)24(4)5)23-17(26)15-8-7-13-12-25(6)10-9-14(13)22-15/h7-8,16H,9-12H2,1-6H3,(H,21,28)(H,23,26)/t16-/m0/s1
InChIKeyDBRDZJZBBYGYKX-INIZCTEOSA-N
XLogP0.78
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylate
CID 163670046
tert-butyl N-[(2S)-3-(dimethylamino)-3-oxo-2-[(4-pyridin-4-ylbenzoyl)amino]propyl]carbamate
CID 58893971
[3-(dimethylamino)-3-oxopropyl]-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]carbamic acid
CID 69483718
N-[3-[(4-chloroanilino)carbamoylamino]-1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 58893869
N-[3-[[2-(4-chloroanilino)-2-oxoethanethioyl]amino]-1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 58893711
N'-(4-bromophenyl)-N-[(2S)-3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide
CID 10369958
N'-(4-chloro-2-methoxyphenyl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide
CID 58893870
N-[1-(dimethylamino)-3-[[2-(4-ethynylanilino)-2-oxoethanethioyl]amino]-1-oxopropan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 58893751
N-[3-[[2-[4-chloro-2-(dimethylcarbamoyl)anilino]-2-oxoethanethioyl]amino]-1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 58893653
tert-butyl N-[2-[[4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 167395449
tert-butyl N-[1-(dimethylamino)-3-(methylamino)-1-oxopropan-2-yl]carbamate
CID 87125447
tert-butyl (NZ)-N-[[2-(2-methoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 20825963

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-3-(dimethylamino)-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-3-(dimethylamino)-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]-3-oxopropyl]carbamate (CID 58893756) is tert-butyl N-[(2S)-3-(dimethylamino)-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-3-(dimethylamino)-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-3-(dimethylamino)-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]-3-oxopropyl]carbamate is CN1CCc2nc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)N(C)C)ccc2C1.
What is the InChIKey of tert-butyl N-[(2S)-3-(dimethylamino)-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]-3-oxopropyl]carbamate?
The InChIKey is DBRDZJZBBYGYKX-INIZCTEOSA-N. The full InChI is InChI=1S/C20H31N5O4/c1-20(2,3)29-19(28)21-11-16(18(27)24(4)5)23-17(26)15-8-7-13-12-25(6)10-9-14(13)22-15/h7-8,16H,9-12H2,1-6H3,(H,21,28)(H,23,26)/t16-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-3-(dimethylamino)-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]-3-oxopropyl]carbamate?
tert-butyl N-[(2S)-3-(dimethylamino)-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]-3-oxopropyl]carbamate has a molecular weight of 405.50 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-3-(dimethylamino)-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 58893756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).