2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline

C25H26Cl2N6O — CID 164566173

IUPAC2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline
SMILES[H]/N=C(/c1ccc(N2CC3(CCNCC3)C2)nc1)c1cc(OCc2c(Cl)cncc2Cl)ccc1N
InChIInChI=1S/C25H26Cl2N6O/c26-20-11-31-12-21(27)19(20)13-34-17-2-3-22(28)18(9-17)24(29)16-1-4-23(32-10-16)33-14-25(15-33)5-7-30-8-6-25/h1-4,9-12,29-30H,5-8,13-15,28H2/b29-24-
InChIKeyHTEMNDUZSWPGEI-OLFWJLLRSA-N
MW497.43 g/mol
LogP4.55
Rot. Bonds6

About 2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline

2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline (PubChem CID 164566173) has the molecular formula C25H26Cl2N6O and a molecular weight of 497.43 g/mol. Its IUPAC name is 2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline.

Molecular Properties

Compound Name2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline
PubChem CID164566173
Molecular FormulaC25H26Cl2N6O
Molecular Weight497.43 g/mol
Exact Mass496.15
IUPAC Name2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline
SMILES[H]/N=C(/c1ccc(N2CC3(CCNCC3)C2)nc1)c1cc(OCc2c(Cl)cncc2Cl)ccc1N
InChIInChI=1S/C25H26Cl2N6O/c26-20-11-31-12-21(27)19(20)13-34-17-2-3-22(28)18(9-17)24(29)16-1-4-23(32-10-16)33-14-25(15-33)5-7-30-8-6-25/h1-4,9-12,29-30H,5-8,13-15,28H2/b29-24-
InChIKeyHTEMNDUZSWPGEI-OLFWJLLRSA-N
XLogP4.55
TPSA100.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.43
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[5-[2-amino-5-[(3,5-dichloro-4-pyridinyl)methoxy]benzenecarboximidoyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 164565870
4-[(3,5-dichloro-4-pyridinyl)methoxy]-2-[6-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)pyridine-3-carboximidoyl]aniline
CID 164565862
4-[5-[2-amino-5-[(3,5-dichloro-4-pyridinyl)methoxy]benzenecarboximidoyl]-2-pyridinyl]-1,4-diazepan-2-one
CID 164565855
3-[5-[2-amino-5-[(3,5-dichloro-4-pyridinyl)methoxy]benzenecarboximidoyl]-2-pyridinyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 164565886
4-[(3,5-dichloro-2-methyl-4-pyridinyl)methoxy]-2-(6-pyrrolidin-1-ylpyridine-3-carboximidoyl)aniline
CID 164565902
4-[(3,5-dichloro-4-pyridinyl)methoxy]-2-[2-(7-methylsulfinyl-2,7-diazaspiro[3.4]octan-2-yl)pyrimidine-5-carboximidoyl]aniline
CID 164565703
4-[(3,5-dichloro-4-pyridinyl)methoxy]-2-[2-(6-oxo-6λ4-thia-2-azaspiro[3.5]nonan-2-yl)pyrimidine-5-carboximidoyl]aniline
CID 164566104
6-[2-amino-5-[(3,5-dichloro-4-pyridinyl)methoxy]benzenecarboximidoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 166462441
2-[1-(azetidin-3-yl)pyrazole-4-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline
CID 164565610
5-[2-amino-5-[(3,5-dichloro-4-pyridinyl)methoxy]benzenecarboximidoyl]-N-methylpyridin-2-amine;cyclopropanecarbaldehyde
CID 166462417
4-[(3,5-dichloro-4-pyridinyl)methoxy]-2-[2-(8-methyl-2,8-diazaspiro[3.5]nonan-2-yl)pyrimidine-5-carboximidoyl]aniline;ethyl formate
CID 164566089
5-[2-amino-5-[(3,5-dichloro-4-pyridinyl)methoxy]benzenecarboximidoyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 166462316

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline?
The IUPAC name of 2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline (CID 164566173) is 2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline.
What is the SMILES notation for 2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline?
The canonical SMILES for 2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline is [H]/N=C(/c1ccc(N2CC3(CCNCC3)C2)nc1)c1cc(OCc2c(Cl)cncc2Cl)ccc1N.
What is the InChIKey of 2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline?
The InChIKey is HTEMNDUZSWPGEI-OLFWJLLRSA-N. The full InChI is InChI=1S/C25H26Cl2N6O/c26-20-11-31-12-21(27)19(20)13-34-17-2-3-22(28)18(9-17)24(29)16-1-4-23(32-10-16)33-14-25(15-33)5-7-30-8-6-25/h1-4,9-12,29-30H,5-8,13-15,28H2/b29-24-.
What are the key properties of 2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline?
2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline has a molecular weight of 497.43 g/mol, XLogP of 4.55, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline is sourced from PubChem (CID 164566173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).