4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide

C19H18BrN5O2 — CID 163383465

IUPAC4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
SMILESCC1OCc2c1c(N)nc1cnc(C(=O)N(C)Cc3ccc(Br)cn3)cc21
InChIInChI=1S/C19H18BrN5O2/c1-10-17-14(9-27-10)13-5-15(23-7-16(13)24-18(17)21)19(26)25(2)8-12-4-3-11(20)6-22-12/h3-7,10H,8-9H2,1-2H3,(H2,21,24)
InChIKeyOBTRSSDTDMADBR-UHFFFAOYSA-N
MW428.29 g/mol
LogP3.23
Rot. Bonds3

About 4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide

4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide (PubChem CID 163383465) has the molecular formula C19H18BrN5O2 and a molecular weight of 428.29 g/mol. Its IUPAC name is 4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
PubChem CID163383465
Molecular FormulaC19H18BrN5O2
Molecular Weight428.29 g/mol
Exact Mass427.06
IUPAC Name4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
SMILESCC1OCc2c1c(N)nc1cnc(C(=O)N(C)Cc3ccc(Br)cn3)cc21
InChIInChI=1S/C19H18BrN5O2/c1-10-17-14(9-27-10)13-5-15(23-7-16(13)24-18(17)21)19(26)25(2)8-12-4-3-11(20)6-22-12/h3-7,10H,8-9H2,1-2H3,(H2,21,24)
InChIKeyOBTRSSDTDMADBR-UHFFFAOYSA-N
XLogP3.23
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-4-amino-N-cyclopropyl-N-[(5-cyclopropyl-2-pyridinyl)methyl]-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 169102300
4-amino-N-tert-butyl-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 163382719
(3R)-4-amino-N-[(6-bromopyridazin-3-yl)methyl]-N-[(2R)-1-methoxypropan-2-yl]-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 167085296
(3R)-4-amino-3-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 163382890
(3R)-4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-(1-methoxypropyl)-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 174220403
(3R)-4-amino-N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 169102294
(3R)-4-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-propyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 174220402
(3R)-4-amino-N-[(4S)-7-methoxy-3,4-dihydro-1H-isochromen-4-yl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 164867460
4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N-cyclopropyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383432
(3S)-4-amino-N-[(1R,2S)-2-aminocyclopropyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382856
(3S)-4-amino-N-[(2R,3R)-3-hydroxybutan-2-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382633
(3R)-4-amino-3-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382679

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?
The IUPAC name of 4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide (CID 163383465) is 4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?
The canonical SMILES for 4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide is CC1OCc2c1c(N)nc1cnc(C(=O)N(C)Cc3ccc(Br)cn3)cc21.
What is the InChIKey of 4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?
The InChIKey is OBTRSSDTDMADBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN5O2/c1-10-17-14(9-27-10)13-5-15(23-7-16(13)24-18(17)21)19(26)25(2)8-12-4-3-11(20)6-22-12/h3-7,10H,8-9H2,1-2H3,(H2,21,24).
What are the key properties of 4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?
4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide has a molecular weight of 428.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N,3-dimethyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide is sourced from PubChem (CID 163383465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).