4-anilino-6-(ethylcarbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide

C24H27N7O3 — CID 71621001

IUPAC4-anilino-6-(ethylcarbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(N3CCOCC3)nc2)cn1
InChIInChI=1S/C24H27N7O3/c1-2-25-24(33)30-21-14-20(28-17-6-4-3-5-7-17)19(16-26-21)23(32)29-18-8-9-22(27-15-18)31-10-12-34-13-11-31/h3-9,14-16H,2,10-13H2,1H3,(H,29,32)(H3,25,26,28,30,33)
InChIKeyLJDGUSFBONSVGJ-UHFFFAOYSA-N
MW461.53 g/mol
LogP3.45
Rot. Bonds7

About 4-anilino-6-(ethylcarbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide

4-anilino-6-(ethylcarbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 71621001) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is 4-anilino-6-(ethylcarbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-anilino-6-(ethylcarbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide
PubChem CID71621001
Molecular FormulaC24H27N7O3
Molecular Weight461.53 g/mol
Exact Mass461.22
IUPAC Name4-anilino-6-(ethylcarbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(N3CCOCC3)nc2)cn1
InChIInChI=1S/C24H27N7O3/c1-2-25-24(33)30-21-14-20(28-17-6-4-3-5-7-17)19(16-26-21)23(32)29-18-8-9-22(27-15-18)31-10-12-34-13-11-31/h3-9,14-16H,2,10-13H2,1H3,(H,29,32)(H3,25,26,28,30,33)
InChIKeyLJDGUSFBONSVGJ-UHFFFAOYSA-N
XLogP3.45
TPSA120.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 53.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-(ethylcarbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 4-anilino-6-(ethylcarbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide (CID 71621001) is 4-anilino-6-(ethylcarbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-anilino-6-(ethylcarbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 4-anilino-6-(ethylcarbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide is CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(N3CCOCC3)nc2)cn1.
What is the InChIKey of 4-anilino-6-(ethylcarbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is LJDGUSFBONSVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-2-25-24(33)30-21-14-20(28-17-6-4-3-5-7-17)19(16-26-21)23(32)29-18-8-9-22(27-15-18)31-10-12-34-13-11-31/h3-9,14-16H,2,10-13H2,1H3,(H,29,32)(H3,25,26,28,30,33).
What are the key properties of 4-anilino-6-(ethylcarbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide?
4-anilino-6-(ethylcarbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 461.53 g/mol, XLogP of 3.45, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-(ethylcarbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 71621001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).