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

C22H23N7O3 — CID 71621002

IUPACN-(6-acetamido-3-pyridinyl)-4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(NC(C)=O)nc2)cn1
InChIInChI=1S/C22H23N7O3/c1-3-23-22(32)29-20-11-18(27-15-7-5-4-6-8-15)17(13-25-20)21(31)28-16-9-10-19(24-12-16)26-14(2)30/h4-13H,3H2,1-2H3,(H,28,31)(H,24,26,30)(H3,23,25,27,29,32)
InChIKeyRVKZOHUACTYRCJ-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.57
Rot. Bonds7

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

N-(6-acetamido-3-pyridinyl)-4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide (PubChem CID 71621002) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-(6-acetamido-3-pyridinyl)-4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-acetamido-3-pyridinyl)-4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide
PubChem CID71621002
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC NameN-(6-acetamido-3-pyridinyl)-4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(NC(C)=O)nc2)cn1
InChIInChI=1S/C22H23N7O3/c1-3-23-22(32)29-20-11-18(27-15-7-5-4-6-8-15)17(13-25-20)21(31)28-16-9-10-19(24-12-16)26-14(2)30/h4-13H,3H2,1-2H3,(H,28,31)(H,24,26,30)(H3,23,25,27,29,32)
InChIKeyRVKZOHUACTYRCJ-UHFFFAOYSA-N
XLogP3.57
TPSA137.14 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-3-pyridinyl)-4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide?
The IUPAC name of N-(6-acetamido-3-pyridinyl)-4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide (CID 71621002) is N-(6-acetamido-3-pyridinyl)-4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(6-acetamido-3-pyridinyl)-4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(6-acetamido-3-pyridinyl)-4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide is CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(NC(C)=O)nc2)cn1.
What is the InChIKey of N-(6-acetamido-3-pyridinyl)-4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide?
The InChIKey is RVKZOHUACTYRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-3-23-22(32)29-20-11-18(27-15-7-5-4-6-8-15)17(13-25-20)21(31)28-16-9-10-19(24-12-16)26-14(2)30/h4-13H,3H2,1-2H3,(H,28,31)(H,24,26,30)(H3,23,25,27,29,32).
What are the key properties of N-(6-acetamido-3-pyridinyl)-4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide?
N-(6-acetamido-3-pyridinyl)-4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 3.57, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-3-pyridinyl)-4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide is sourced from PubChem (CID 71621002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).