[3-[6-amino-1-[bis[(4-methoxyphenyl)methyl]amino]-2,7-naphthyridin-3-yl]-4-pyridinyl]methanol

C30H29N5O3 — CID 135344673

IUPAC[3-[6-amino-1-[bis[(4-methoxyphenyl)methyl]amino]-2,7-naphthyridin-3-yl]-4-pyridinyl]methanol
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc(-c3cnccc3CO)cc3cc(N)ncc23)cc1
InChIInChI=1S/C30H29N5O3/c1-37-24-7-3-20(4-8-24)17-35(18-21-5-9-25(38-2)10-6-21)30-27-16-33-29(31)14-23(27)13-28(34-30)26-15-32-12-11-22(26)19-36/h3-16,36H,17-19H2,1-2H3,(H2,31,33)
InChIKeyZKQKADRSZABXKC-UHFFFAOYSA-N
MW507.59 g/mol
LogP4.99
Rot. Bonds9

About [3-[6-amino-1-[bis[(4-methoxyphenyl)methyl]amino]-2,7-naphthyridin-3-yl]-4-pyridinyl]methanol

[3-[6-amino-1-[bis[(4-methoxyphenyl)methyl]amino]-2,7-naphthyridin-3-yl]-4-pyridinyl]methanol (PubChem CID 135344673) has the molecular formula C30H29N5O3 and a molecular weight of 507.59 g/mol. Its IUPAC name is [3-[6-amino-1-[bis[(4-methoxyphenyl)methyl]amino]-2,7-naphthyridin-3-yl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[6-amino-1-[bis[(4-methoxyphenyl)methyl]amino]-2,7-naphthyridin-3-yl]-4-pyridinyl]methanol
PubChem CID135344673
Molecular FormulaC30H29N5O3
Molecular Weight507.59 g/mol
Exact Mass507.23
IUPAC Name[3-[6-amino-1-[bis[(4-methoxyphenyl)methyl]amino]-2,7-naphthyridin-3-yl]-4-pyridinyl]methanol
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc(-c3cnccc3CO)cc3cc(N)ncc23)cc1
InChIInChI=1S/C30H29N5O3/c1-37-24-7-3-20(4-8-24)17-35(18-21-5-9-25(38-2)10-6-21)30-27-16-33-29(31)14-23(27)13-28(34-30)26-15-32-12-11-22(26)19-36/h3-16,36H,17-19H2,1-2H3,(H2,31,33)
InChIKeyZKQKADRSZABXKC-UHFFFAOYSA-N
XLogP4.99
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.59
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[8-[bis[(4-methoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-(1,3-thiazol-5-ylmethyl)urea
CID 135344957
1-[8-[bis[(4-methoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 135345270
2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide
CID 135344339
2-[1-[6-amino-1-[bis[(4-methoxyphenyl)methyl]amino]-2,7-naphthyridin-3-yl]pyrrolidin-2-yl]ethanol
CID 135344408
(1S,5R)-N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-hydroxybicyclo[3.1.0]hexane-6-carboxamide
CID 135344824
[4-[[(4-methoxyphenyl)methyl-pyridin-3-ylamino]methyl]phenyl]methanol
CID 170025838
N,N-bis[(4-methoxyphenyl)methyl]pyrazin-2-amine
CID 175520241
tert-butyl 4-[4-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-hydroxyamino]phenyl]-3-oxopiperazine-1-carboxylate
CID 135345110
N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxamide
CID 135345298
[2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 55134024
N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(phenylmethoxymethyl)cyclopropane-1-carboxamide
CID 135344436
6-(4-ethyl-3-pyridinyl)-8-methylisoquinolin-3-amine
CID 142447924

Frequently Asked Questions

What is the IUPAC name of [3-[6-amino-1-[bis[(4-methoxyphenyl)methyl]amino]-2,7-naphthyridin-3-yl]-4-pyridinyl]methanol?
The IUPAC name of [3-[6-amino-1-[bis[(4-methoxyphenyl)methyl]amino]-2,7-naphthyridin-3-yl]-4-pyridinyl]methanol (CID 135344673) is [3-[6-amino-1-[bis[(4-methoxyphenyl)methyl]amino]-2,7-naphthyridin-3-yl]-4-pyridinyl]methanol.
What is the SMILES notation for [3-[6-amino-1-[bis[(4-methoxyphenyl)methyl]amino]-2,7-naphthyridin-3-yl]-4-pyridinyl]methanol?
The canonical SMILES for [3-[6-amino-1-[bis[(4-methoxyphenyl)methyl]amino]-2,7-naphthyridin-3-yl]-4-pyridinyl]methanol is COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(-c3cnccc3CO)cc3cc(N)ncc23)cc1.
What is the InChIKey of [3-[6-amino-1-[bis[(4-methoxyphenyl)methyl]amino]-2,7-naphthyridin-3-yl]-4-pyridinyl]methanol?
The InChIKey is ZKQKADRSZABXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O3/c1-37-24-7-3-20(4-8-24)17-35(18-21-5-9-25(38-2)10-6-21)30-27-16-33-29(31)14-23(27)13-28(34-30)26-15-32-12-11-22(26)19-36/h3-16,36H,17-19H2,1-2H3,(H2,31,33).
What are the key properties of [3-[6-amino-1-[bis[(4-methoxyphenyl)methyl]amino]-2,7-naphthyridin-3-yl]-4-pyridinyl]methanol?
[3-[6-amino-1-[bis[(4-methoxyphenyl)methyl]amino]-2,7-naphthyridin-3-yl]-4-pyridinyl]methanol has a molecular weight of 507.59 g/mol, XLogP of 4.99, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-amino-1-[bis[(4-methoxyphenyl)methyl]amino]-2,7-naphthyridin-3-yl]-4-pyridinyl]methanol is sourced from PubChem (CID 135344673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).