2-[[2-[2-methoxy-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)anilino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]-5-methylbenzamide

C30H34N6O2 — CID 68744653

IUPAC2-[[2-[2-methoxy-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)anilino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]-5-methylbenzamide
SMILESCCCN1CCC=C(c2ccc(Nc3cc4c(Nc5ccc(C)cc5C(N)=O)cncc4[nH]3)c(OC)c2)C1
InChIInChI=1S/C30H34N6O2/c1-4-11-36-12-5-6-21(18-36)20-8-10-25(28(14-20)38-3)34-29-15-22-26(16-32-17-27(22)35-29)33-24-9-7-19(2)13-23(24)30(31)37/h6-10,13-17,33-35H,4-5,11-12,18H2,1-3H3,(H2,31,37)
InChIKeyNYTRYJHQFQPKJD-UHFFFAOYSA-N
MW510.64 g/mol
LogP5.97
Rot. Bonds9

About 2-[[2-[2-methoxy-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)anilino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]-5-methylbenzamide

2-[[2-[2-methoxy-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)anilino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]-5-methylbenzamide (PubChem CID 68744653) has the molecular formula C30H34N6O2 and a molecular weight of 510.64 g/mol. Its IUPAC name is 2-[[2-[2-methoxy-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)anilino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]-5-methylbenzamide.

Molecular Properties

Compound Name2-[[2-[2-methoxy-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)anilino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]-5-methylbenzamide
PubChem CID68744653
Molecular FormulaC30H34N6O2
Molecular Weight510.64 g/mol
Exact Mass510.27
IUPAC Name2-[[2-[2-methoxy-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)anilino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]-5-methylbenzamide
SMILESCCCN1CCC=C(c2ccc(Nc3cc4c(Nc5ccc(C)cc5C(N)=O)cncc4[nH]3)c(OC)c2)C1
InChIInChI=1S/C30H34N6O2/c1-4-11-36-12-5-6-21(18-36)20-8-10-25(28(14-20)38-3)34-29-15-22-26(16-32-17-27(22)35-29)33-24-9-7-19(2)13-23(24)30(31)37/h6-10,13-17,33-35H,4-5,11-12,18H2,1-3H3,(H2,31,37)
InChIKeyNYTRYJHQFQPKJD-UHFFFAOYSA-N
XLogP5.97
TPSA108.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 55.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[2-methoxy-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)anilino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]-5-methylbenzamide with MolForge

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Related Compounds

4-methyl-2-[[2-[2-methyl-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-1-ium-4-yl]amino]benzamide
CID 123431384
3-[[2-[2-methoxy-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]anilino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]thiophene-2-carboxamide
CID 68572502
2,4-difluoro-6-[[2-[(6-methoxy-1,2,3,4-tetrahydroquinolin-7-yl)amino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]benzamide
CID 68794005
4,5-difluoro-2-[[2-[2-methoxy-4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide
CID 59441923
2-fluoro-6-[[2-[2-methyl-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-1-ium-4-yl]amino]benzamide
CID 123242724
3-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 143220427
5-amino-2-(2,4-dimethoxyanilino)benzamide
CID 61312108
(4-ethylpiperazin-1-yl)-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]methanone
CID 109154845
(3S)-4-methyl-1-octyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazine-2,5-dione
CID 10185204
4-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-undecylpiperazine-2,5-dione
CID 20791921
methyl 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-5-methylbenzoate
CID 112828219
4-methoxy-3-[(3-propylimidazol-4-yl)methylamino]benzamide
CID 66131346

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-methoxy-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)anilino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]-5-methylbenzamide?
The IUPAC name of 2-[[2-[2-methoxy-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)anilino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]-5-methylbenzamide (CID 68744653) is 2-[[2-[2-methoxy-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)anilino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]-5-methylbenzamide.
What is the SMILES notation for 2-[[2-[2-methoxy-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)anilino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]-5-methylbenzamide?
The canonical SMILES for 2-[[2-[2-methoxy-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)anilino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]-5-methylbenzamide is CCCN1CCC=C(c2ccc(Nc3cc4c(Nc5ccc(C)cc5C(N)=O)cncc4[nH]3)c(OC)c2)C1.
What is the InChIKey of 2-[[2-[2-methoxy-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)anilino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]-5-methylbenzamide?
The InChIKey is NYTRYJHQFQPKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O2/c1-4-11-36-12-5-6-21(18-36)20-8-10-25(28(14-20)38-3)34-29-15-22-26(16-32-17-27(22)35-29)33-24-9-7-19(2)13-23(24)30(31)37/h6-10,13-17,33-35H,4-5,11-12,18H2,1-3H3,(H2,31,37).
What are the key properties of 2-[[2-[2-methoxy-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)anilino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]-5-methylbenzamide?
2-[[2-[2-methoxy-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)anilino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]-5-methylbenzamide has a molecular weight of 510.64 g/mol, XLogP of 5.97, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-methoxy-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)anilino]-1H-pyrrolo[2,3-c]pyridin-4-yl]amino]-5-methylbenzamide is sourced from PubChem (CID 68744653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).