N-[5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide

C22H21N7O3 — CID 166780519

IUPACN-[5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)n1cccc(C(=O)Nc2ccc(Oc3ccnc(-c4ncn(C)n4)c3)cn2)c1=O
InChIInChI=1S/C22H21N7O3/c1-14(2)29-10-4-5-17(22(29)31)21(30)26-19-7-6-16(12-24-19)32-15-8-9-23-18(11-15)20-25-13-28(3)27-20/h4-14H,1-3H3,(H,24,26,30)
InChIKeyCIFQKIGZNFOIOQ-UHFFFAOYSA-N
MW431.46 g/mol
LogP3.06
Rot. Bonds6

About N-[5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide

N-[5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide (PubChem CID 166780519) has the molecular formula C22H21N7O3 and a molecular weight of 431.46 g/mol. Its IUPAC name is N-[5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
PubChem CID166780519
Molecular FormulaC22H21N7O3
Molecular Weight431.46 g/mol
Exact Mass431.17
IUPAC NameN-[5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)n1cccc(C(=O)Nc2ccc(Oc3ccnc(-c4ncn(C)n4)c3)cn2)c1=O
InChIInChI=1S/C22H21N7O3/c1-14(2)29-10-4-5-17(22(29)31)21(30)26-19-7-6-16(12-24-19)32-15-8-9-23-18(11-15)20-25-13-28(3)27-20/h4-14H,1-3H3,(H,24,26,30)
InChIKeyCIFQKIGZNFOIOQ-UHFFFAOYSA-N
XLogP3.06
TPSA116.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide (CID 166780519) is N-[5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide is CC(C)n1cccc(C(=O)Nc2ccc(Oc3ccnc(-c4ncn(C)n4)c3)cn2)c1=O.
What is the InChIKey of N-[5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide?
The InChIKey is CIFQKIGZNFOIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3/c1-14(2)29-10-4-5-17(22(29)31)21(30)26-19-7-6-16(12-24-19)32-15-8-9-23-18(11-15)20-25-13-28(3)27-20/h4-14H,1-3H3,(H,24,26,30).
What are the key properties of N-[5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide?
N-[5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 166780519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).