[3-(2-chloro-3,5-dimethoxyphenyl)-7-(oxolan-3-ylamino)-2,6-naphthyridin-1-yl]-[2-(dimethylamino)ethyl]azanide

C24H29ClN5O3- — CID 142381004

IUPAC[3-(2-chloro-3,5-dimethoxyphenyl)-7-(oxolan-3-ylamino)-2,6-naphthyridin-1-yl]-[2-(dimethylamino)ethyl]azanide
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(NC4CCOC4)cc3c([N-]CCN(C)C)n2)c1
InChIInChI=1S/C24H29ClN5O3/c1-30(2)7-6-26-24-18-12-22(28-16-5-8-33-14-16)27-13-15(18)9-20(29-24)19-10-17(31-3)11-21(32-4)23(19)25/h9-13,16H,5-8,14H2,1-4H3,(H-,26,27,28,29)/q-1
InChIKeyNBMYISZDZJPEAG-UHFFFAOYSA-N
MW470.98 g/mol
LogP4.74
Rot. Bonds9

About [3-(2-chloro-3,5-dimethoxyphenyl)-7-(oxolan-3-ylamino)-2,6-naphthyridin-1-yl]-[2-(dimethylamino)ethyl]azanide

[3-(2-chloro-3,5-dimethoxyphenyl)-7-(oxolan-3-ylamino)-2,6-naphthyridin-1-yl]-[2-(dimethylamino)ethyl]azanide (PubChem CID 142381004) has the molecular formula C24H29ClN5O3- and a molecular weight of 470.98 g/mol. Its IUPAC name is [3-(2-chloro-3,5-dimethoxyphenyl)-7-(oxolan-3-ylamino)-2,6-naphthyridin-1-yl]-[2-(dimethylamino)ethyl]azanide.

Molecular Properties

Compound Name[3-(2-chloro-3,5-dimethoxyphenyl)-7-(oxolan-3-ylamino)-2,6-naphthyridin-1-yl]-[2-(dimethylamino)ethyl]azanide
PubChem CID142381004
Molecular FormulaC24H29ClN5O3-
Molecular Weight470.98 g/mol
Exact Mass470.20
IUPAC Name[3-(2-chloro-3,5-dimethoxyphenyl)-7-(oxolan-3-ylamino)-2,6-naphthyridin-1-yl]-[2-(dimethylamino)ethyl]azanide
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(NC4CCOC4)cc3c([N-]CCN(C)C)n2)c1
InChIInChI=1S/C24H29ClN5O3/c1-30(2)7-6-26-24-18-12-22(28-16-5-8-33-14-16)27-13-15(18)9-20(29-24)19-10-17(31-3)11-21(32-4)23(19)25/h9-13,16H,5-8,14H2,1-4H3,(H-,26,27,28,29)/q-1
InChIKeyNBMYISZDZJPEAG-UHFFFAOYSA-N
XLogP4.74
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.98
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-chloro-3,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]-7-N-(oxolan-3-yl)-2,6-naphthyridine-1,7-diamine
CID 135179992
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-(oxan-3-yl)-1-N-(oxetan-3-yl)-2,6-naphthyridine-1,7-diamine
CID 139395977
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-N-[(1-methylpyrazol-4-yl)methyl]-7-N-[(3S)-oxan-3-yl]-2,6-naphthyridine-1,7-diamine
CID 135180783
1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxolan-3-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one
CID 157315513
N-[4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxolan-3-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide
CID 163908344
[6-(2-chloro-3,5-dimethoxyphenyl)-8-[2-(4-methylpiperazin-1-yl)ethylamino]pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-ylmethyl)azanide
CID 163481463
N-[1-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-7-oxo-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]azetidin-3-yl]prop-2-enamide
CID 118295900
1-[(3R,4S)-4-[[5-[[(1S)-1-cyclopropylethyl]amino]-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[5-[2-(dimethylamino)ethylamino]-7-(2-fluoro-3-methoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2-fluoro-3,5-dimethoxyphenyl)-5-(oxolan-2-ylmethylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one;1-[(3R,4S)-4-[[7-(2-fluoro-3-methoxyphenyl)-5-(oxolan-2-ylmethylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one
CID 159609766
3-(2-chloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;ethane;propane
CID 142381395
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-methyl-2-N-(oxolan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135180770
8-N-(cyclopentylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-N-(oxolan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135181175
6-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 154684608

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-3,5-dimethoxyphenyl)-7-(oxolan-3-ylamino)-2,6-naphthyridin-1-yl]-[2-(dimethylamino)ethyl]azanide?
The IUPAC name of [3-(2-chloro-3,5-dimethoxyphenyl)-7-(oxolan-3-ylamino)-2,6-naphthyridin-1-yl]-[2-(dimethylamino)ethyl]azanide (CID 142381004) is [3-(2-chloro-3,5-dimethoxyphenyl)-7-(oxolan-3-ylamino)-2,6-naphthyridin-1-yl]-[2-(dimethylamino)ethyl]azanide.
What is the SMILES notation for [3-(2-chloro-3,5-dimethoxyphenyl)-7-(oxolan-3-ylamino)-2,6-naphthyridin-1-yl]-[2-(dimethylamino)ethyl]azanide?
The canonical SMILES for [3-(2-chloro-3,5-dimethoxyphenyl)-7-(oxolan-3-ylamino)-2,6-naphthyridin-1-yl]-[2-(dimethylamino)ethyl]azanide is COc1cc(OC)c(Cl)c(-c2cc3cnc(NC4CCOC4)cc3c([N-]CCN(C)C)n2)c1.
What is the InChIKey of [3-(2-chloro-3,5-dimethoxyphenyl)-7-(oxolan-3-ylamino)-2,6-naphthyridin-1-yl]-[2-(dimethylamino)ethyl]azanide?
The InChIKey is NBMYISZDZJPEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN5O3/c1-30(2)7-6-26-24-18-12-22(28-16-5-8-33-14-16)27-13-15(18)9-20(29-24)19-10-17(31-3)11-21(32-4)23(19)25/h9-13,16H,5-8,14H2,1-4H3,(H-,26,27,28,29)/q-1.
What are the key properties of [3-(2-chloro-3,5-dimethoxyphenyl)-7-(oxolan-3-ylamino)-2,6-naphthyridin-1-yl]-[2-(dimethylamino)ethyl]azanide?
[3-(2-chloro-3,5-dimethoxyphenyl)-7-(oxolan-3-ylamino)-2,6-naphthyridin-1-yl]-[2-(dimethylamino)ethyl]azanide has a molecular weight of 470.98 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloro-3,5-dimethoxyphenyl)-7-(oxolan-3-ylamino)-2,6-naphthyridin-1-yl]-[2-(dimethylamino)ethyl]azanide is sourced from PubChem (CID 142381004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).