4-anilino-6-(ethylcarbamoylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide

C22H21N9O2 — CID 71621004

IUPAC4-anilino-6-(ethylcarbamoylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(-n3cncn3)nc2)cn1
InChIInChI=1S/C22H21N9O2/c1-2-24-22(33)30-19-10-18(28-15-6-4-3-5-7-15)17(12-25-19)21(32)29-16-8-9-20(26-11-16)31-14-23-13-27-31/h3-14H,2H2,1H3,(H,29,32)(H3,24,25,28,30,33)
InChIKeyNULLOLQKFUOFDL-UHFFFAOYSA-N
MW443.47 g/mol
LogP3.19
Rot. Bonds7

About 4-anilino-6-(ethylcarbamoylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide

4-anilino-6-(ethylcarbamoylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 71621004) has the molecular formula C22H21N9O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is 4-anilino-6-(ethylcarbamoylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-anilino-6-(ethylcarbamoylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID71621004
Molecular FormulaC22H21N9O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC Name4-anilino-6-(ethylcarbamoylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(-n3cncn3)nc2)cn1
InChIInChI=1S/C22H21N9O2/c1-2-24-22(33)30-19-10-18(28-15-6-4-3-5-7-15)17(12-25-19)21(32)29-16-8-9-20(26-11-16)31-14-23-13-27-31/h3-14H,2H2,1H3,(H,29,32)(H3,24,25,28,30,33)
InChIKeyNULLOLQKFUOFDL-UHFFFAOYSA-N
XLogP3.19
TPSA138.75 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-(ethylcarbamoylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 4-anilino-6-(ethylcarbamoylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide (CID 71621004) is 4-anilino-6-(ethylcarbamoylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-anilino-6-(ethylcarbamoylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 4-anilino-6-(ethylcarbamoylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide is CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(-n3cncn3)nc2)cn1.
What is the InChIKey of 4-anilino-6-(ethylcarbamoylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is NULLOLQKFUOFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N9O2/c1-2-24-22(33)30-19-10-18(28-15-6-4-3-5-7-15)17(12-25-19)21(32)29-16-8-9-20(26-11-16)31-14-23-13-27-31/h3-14H,2H2,1H3,(H,29,32)(H3,24,25,28,30,33).
What are the key properties of 4-anilino-6-(ethylcarbamoylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide?
4-anilino-6-(ethylcarbamoylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 443.47 g/mol, XLogP of 3.19, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-(ethylcarbamoylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 71621004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).