1-[4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropane-1-carboxamide

C21H23N7O3 — CID 175797196

IUPAC1-[4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCCC(=O)c1cnc(C2(C(N)=O)CC2)cc1Nc1nccc(-c2cnn(C)n2)c1OC
InChIInChI=1S/C21H23N7O3/c1-4-16(29)13-10-24-17(21(6-7-21)20(22)30)9-14(13)26-19-18(31-3)12(5-8-23-19)15-11-25-28(2)27-15/h5,8-11H,4,6-7H2,1-3H3,(H2,22,30)(H,23,24,26)
InChIKeyGEMAUEXUMPHGHP-UHFFFAOYSA-N
MW421.46 g/mol
LogP2.13
Rot. Bonds8

About 1-[4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropane-1-carboxamide

1-[4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 175797196) has the molecular formula C21H23N7O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is 1-[4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID175797196
Molecular FormulaC21H23N7O3
Molecular Weight421.46 g/mol
Exact Mass421.19
IUPAC Name1-[4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCCC(=O)c1cnc(C2(C(N)=O)CC2)cc1Nc1nccc(-c2cnn(C)n2)c1OC
InChIInChI=1S/C21H23N7O3/c1-4-16(29)13-10-24-17(21(6-7-21)20(22)30)9-14(13)26-19-18(31-3)12(5-8-23-19)15-11-25-28(2)27-15/h5,8-11H,4,6-7H2,1-3H3,(H2,22,30)(H,23,24,26)
InChIKeyGEMAUEXUMPHGHP-UHFFFAOYSA-N
XLogP2.13
TPSA137.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropane-1-carboxamide (CID 175797196) is 1-[4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropane-1-carboxamide is CCC(=O)c1cnc(C2(C(N)=O)CC2)cc1Nc1nccc(-c2cnn(C)n2)c1OC.
What is the InChIKey of 1-[4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is GEMAUEXUMPHGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O3/c1-4-16(29)13-10-24-17(21(6-7-21)20(22)30)9-14(13)26-19-18(31-3)12(5-8-23-19)15-11-25-28(2)27-15/h5,8-11H,4,6-7H2,1-3H3,(H2,22,30)(H,23,24,26).
What are the key properties of 1-[4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropane-1-carboxamide?
1-[4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 175797196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).