2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-carbamoylamino]propanamide

C37H41N7O6 — CID 135344338

IUPAC2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-carbamoylamino]propanamide
SMILESCCc1ccncc1-c1cc2cc(N(C(N)=O)C(C)C(N)=O)ncc2c(N(Cc2ccc(OC)cc2OC)Cc2ccc(OC)cc2OC)n1
InChIInChI=1S/C37H41N7O6/c1-7-23-12-13-40-18-29(23)31-14-26-15-34(44(37(39)46)22(2)35(38)45)41-19-30(26)36(42-31)43(20-24-8-10-27(47-3)16-32(24)49-5)21-25-9-11-28(48-4)17-33(25)50-6/h8-19,22H,7,20-21H2,1-6H3,(H2,38,45)(H2,39,46)
InChIKeyMFYIQBNQKQPHSD-UHFFFAOYSA-N
MW679.78 g/mol
LogP5.25
Rot. Bonds14

About 2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-carbamoylamino]propanamide

2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-carbamoylamino]propanamide (PubChem CID 135344338) has the molecular formula C37H41N7O6 and a molecular weight of 679.78 g/mol. Its IUPAC name is 2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-carbamoylamino]propanamide.

Molecular Properties

Compound Name2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-carbamoylamino]propanamide
PubChem CID135344338
Molecular FormulaC37H41N7O6
Molecular Weight679.78 g/mol
Exact Mass679.31
IUPAC Name2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-carbamoylamino]propanamide
SMILESCCc1ccncc1-c1cc2cc(N(C(N)=O)C(C)C(N)=O)ncc2c(N(Cc2ccc(OC)cc2OC)Cc2ccc(OC)cc2OC)n1
InChIInChI=1S/C37H41N7O6/c1-7-23-12-13-40-18-29(23)31-14-26-15-34(44(37(39)46)22(2)35(38)45)41-19-30(26)36(42-31)43(20-24-8-10-27(47-3)16-32(24)49-5)21-25-9-11-28(48-4)17-33(25)50-6/h8-19,22H,7,20-21H2,1-6H3,(H2,38,45)(H2,39,46)
InChIKeyMFYIQBNQKQPHSD-UHFFFAOYSA-N
XLogP5.25
TPSA168.25 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.78
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide
CID 135344339
(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
[3-[6-amino-1-[bis[(4-methoxyphenyl)methyl]amino]-2,7-naphthyridin-3-yl]-4-pyridinyl]methanol
CID 135344673
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
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
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
3-[4-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one
CID 135345092
tert-butyl N-[2-[2-[4-[(1S,2S)-2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]pyrazol-1-yl]ethoxy]ethyl]carbamate
CID 135344674
methyl 2-[(4-amino-3-pyridinyl)methyl-[(2,4-dimethoxyphenyl)methyl]amino]acetate
CID 139401063
(2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-ethylpropanamide
CID 8845701

Frequently Asked Questions

What is the IUPAC name of 2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-carbamoylamino]propanamide?
The IUPAC name of 2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-carbamoylamino]propanamide (CID 135344338) is 2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-carbamoylamino]propanamide.
What is the SMILES notation for 2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-carbamoylamino]propanamide?
The canonical SMILES for 2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-carbamoylamino]propanamide is CCc1ccncc1-c1cc2cc(N(C(N)=O)C(C)C(N)=O)ncc2c(N(Cc2ccc(OC)cc2OC)Cc2ccc(OC)cc2OC)n1.
What is the InChIKey of 2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-carbamoylamino]propanamide?
The InChIKey is MFYIQBNQKQPHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N7O6/c1-7-23-12-13-40-18-29(23)31-14-26-15-34(44(37(39)46)22(2)35(38)45)41-19-30(26)36(42-31)43(20-24-8-10-27(47-3)16-32(24)49-5)21-25-9-11-28(48-4)17-33(25)50-6/h8-19,22H,7,20-21H2,1-6H3,(H2,38,45)(H2,39,46).
What are the key properties of 2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-carbamoylamino]propanamide?
2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-carbamoylamino]propanamide has a molecular weight of 679.78 g/mol, XLogP of 5.25, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-carbamoylamino]propanamide is sourced from PubChem (CID 135344338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).