4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(propanoylamino)pyridine-3-carboxamide

C19H21N7O4 — CID 161230575

IUPAC4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(propanoylamino)pyridine-3-carboxamide
SMILESCCC(=O)Nc1cc(Nc2nccc(-c3noc(C)n3)c2OC)c(C(=O)NC)cn1
InChIInChI=1S/C19H21N7O4/c1-5-15(27)25-14-8-13(12(9-22-14)19(28)20-3)24-18-16(29-4)11(6-7-21-18)17-23-10(2)30-26-17/h6-9H,5H2,1-4H3,(H,20,28)(H2,21,22,24,25,27)
InChIKeyUYRWZJZOPYVCIA-UHFFFAOYSA-N
MW411.42 g/mol
LogP2.30
Rot. Bonds7

About 4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(propanoylamino)pyridine-3-carboxamide

4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(propanoylamino)pyridine-3-carboxamide (PubChem CID 161230575) has the molecular formula C19H21N7O4 and a molecular weight of 411.42 g/mol. Its IUPAC name is 4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(propanoylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(propanoylamino)pyridine-3-carboxamide
PubChem CID161230575
Molecular FormulaC19H21N7O4
Molecular Weight411.42 g/mol
Exact Mass411.17
IUPAC Name4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(propanoylamino)pyridine-3-carboxamide
SMILESCCC(=O)Nc1cc(Nc2nccc(-c3noc(C)n3)c2OC)c(C(=O)NC)cn1
InChIInChI=1S/C19H21N7O4/c1-5-15(27)25-14-8-13(12(9-22-14)19(28)20-3)24-18-16(29-4)11(6-7-21-18)17-23-10(2)30-26-17/h6-9H,5H2,1-4H3,(H,20,28)(H2,21,22,24,25,27)
InChIKeyUYRWZJZOPYVCIA-UHFFFAOYSA-N
XLogP2.30
TPSA144.16 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

4-[[3-methoxy-4-(2-methyltetrazol-5-yl)-2-pyridinyl]amino]-6-(propanoylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 161332681
6-(cyclopropanecarbonylamino)-4-[[4-[5-[(1S)-1-hydroxyethyl]-1,2,4-oxadiazol-3-yl]-3-methoxy-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide
CID 160880208
CID 174037173
CID 174037173
4-[(4-chloro-3-methoxy-2-pyridinyl)amino]-6-(cyclopropanecarbonylamino)-N-methylpyridine-3-carboxamide
CID 176564150
4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-6-[(6-methylpyrimidin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 161470901
4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-methyl-6-[(4-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 160933628
N-methyl-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridine-3-carboxamide
CID 175957219
6-(cyclopropanecarbonylamino)-4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 160507017
4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 175957194
1-cyclobutyl-3-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]urea
CID 155279496
6-(cyclopropanecarbonylamino)-4-[[4-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 155674539
6-(hexanoylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide
CID 170739317

Frequently Asked Questions

What is the IUPAC name of 4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(propanoylamino)pyridine-3-carboxamide?
The IUPAC name of 4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(propanoylamino)pyridine-3-carboxamide (CID 161230575) is 4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(propanoylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(propanoylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(propanoylamino)pyridine-3-carboxamide is CCC(=O)Nc1cc(Nc2nccc(-c3noc(C)n3)c2OC)c(C(=O)NC)cn1.
What is the InChIKey of 4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(propanoylamino)pyridine-3-carboxamide?
The InChIKey is UYRWZJZOPYVCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O4/c1-5-15(27)25-14-8-13(12(9-22-14)19(28)20-3)24-18-16(29-4)11(6-7-21-18)17-23-10(2)30-26-17/h6-9H,5H2,1-4H3,(H,20,28)(H2,21,22,24,25,27).
What are the key properties of 4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(propanoylamino)pyridine-3-carboxamide?
4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(propanoylamino)pyridine-3-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(propanoylamino)pyridine-3-carboxamide is sourced from PubChem (CID 161230575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).