4-(benzylamino)-6-[4-[1-(2-methoxyacetyl)azetidin-3-yl]anilino]pyridine-3-carboxamide

C25H27N5O3 — CID 67501741

IUPAC4-(benzylamino)-6-[4-[1-(2-methoxyacetyl)azetidin-3-yl]anilino]pyridine-3-carboxamide
SMILESCOCC(=O)N1CC(c2ccc(Nc3cc(NCc4ccccc4)c(C(N)=O)cn3)cc2)C1
InChIInChI=1S/C25H27N5O3/c1-33-16-24(31)30-14-19(15-30)18-7-9-20(10-8-18)29-23-11-22(21(13-28-23)25(26)32)27-12-17-5-3-2-4-6-17/h2-11,13,19H,12,14-16H2,1H3,(H2,26,32)(H2,27,28,29)
InChIKeyBBHAFUDSSPEYAO-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.11
Rot. Bonds9

About 4-(benzylamino)-6-[4-[1-(2-methoxyacetyl)azetidin-3-yl]anilino]pyridine-3-carboxamide

4-(benzylamino)-6-[4-[1-(2-methoxyacetyl)azetidin-3-yl]anilino]pyridine-3-carboxamide (PubChem CID 67501741) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 4-(benzylamino)-6-[4-[1-(2-methoxyacetyl)azetidin-3-yl]anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(benzylamino)-6-[4-[1-(2-methoxyacetyl)azetidin-3-yl]anilino]pyridine-3-carboxamide
PubChem CID67501741
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name4-(benzylamino)-6-[4-[1-(2-methoxyacetyl)azetidin-3-yl]anilino]pyridine-3-carboxamide
SMILESCOCC(=O)N1CC(c2ccc(Nc3cc(NCc4ccccc4)c(C(N)=O)cn3)cc2)C1
InChIInChI=1S/C25H27N5O3/c1-33-16-24(31)30-14-19(15-30)18-7-9-20(10-8-18)29-23-11-22(21(13-28-23)25(26)32)27-12-17-5-3-2-4-6-17/h2-11,13,19H,12,14-16H2,1H3,(H2,26,32)(H2,27,28,29)
InChIKeyBBHAFUDSSPEYAO-UHFFFAOYSA-N
XLogP3.11
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide
CID 67501790
4-[1H-indol-4-yl(methyl)amino]-6-[4-[1-(2-methoxyacetyl)azetidin-3-yl]anilino]pyridine-3-carboxamide
CID 67501878
4-(benzylamino)-6-[4-(propan-2-ylcarbamoylamino)anilino]pyridine-3-carboxamide
CID 67423689
4-(benzylamino)-6-[4-(4-methyl-1,4-diazepan-1-yl)anilino]pyridine-3-carboxamide
CID 67422223
4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 46218740
4-(benzylamino)-6-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 46219366
4-(benzylamino)-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 58450630
4-(benzylamino)-6-[4-(2-oxo-2-piperidin-4-ylethyl)anilino]pyridine-3-carboxamide
CID 58450567
4-(benzylamino)-6-[4-(4-ethylpiperazin-1-yl)anilino]pyridine-3-carboxamide;carbon dioxide
CID 158000288
4-(benzylamino)-6-[4-[4-(2,2,2-trifluoroacetyl)-1,4-diazepan-1-yl]anilino]pyridine-3-carboxamide
CID 87394872
4-(benzylamino)-6-[4-(3-morpholin-4-ylpropyl)anilino]pyridine-3-carboxamide
CID 58450697
4-(benzylamino)-6-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-methylanilino]pyridine-3-carboxamide
CID 67501888

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-6-[4-[1-(2-methoxyacetyl)azetidin-3-yl]anilino]pyridine-3-carboxamide?
The IUPAC name of 4-(benzylamino)-6-[4-[1-(2-methoxyacetyl)azetidin-3-yl]anilino]pyridine-3-carboxamide (CID 67501741) is 4-(benzylamino)-6-[4-[1-(2-methoxyacetyl)azetidin-3-yl]anilino]pyridine-3-carboxamide.
What is the SMILES notation for 4-(benzylamino)-6-[4-[1-(2-methoxyacetyl)azetidin-3-yl]anilino]pyridine-3-carboxamide?
The canonical SMILES for 4-(benzylamino)-6-[4-[1-(2-methoxyacetyl)azetidin-3-yl]anilino]pyridine-3-carboxamide is COCC(=O)N1CC(c2ccc(Nc3cc(NCc4ccccc4)c(C(N)=O)cn3)cc2)C1.
What is the InChIKey of 4-(benzylamino)-6-[4-[1-(2-methoxyacetyl)azetidin-3-yl]anilino]pyridine-3-carboxamide?
The InChIKey is BBHAFUDSSPEYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-33-16-24(31)30-14-19(15-30)18-7-9-20(10-8-18)29-23-11-22(21(13-28-23)25(26)32)27-12-17-5-3-2-4-6-17/h2-11,13,19H,12,14-16H2,1H3,(H2,26,32)(H2,27,28,29).
What are the key properties of 4-(benzylamino)-6-[4-[1-(2-methoxyacetyl)azetidin-3-yl]anilino]pyridine-3-carboxamide?
4-(benzylamino)-6-[4-[1-(2-methoxyacetyl)azetidin-3-yl]anilino]pyridine-3-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 3.11, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-6-[4-[1-(2-methoxyacetyl)azetidin-3-yl]anilino]pyridine-3-carboxamide is sourced from PubChem (CID 67501741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).