N-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methyl]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide

C22H24N6O3 — CID 170128649

IUPACN-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methyl]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
SMILESCCC(=O)c1cnc(NC(=O)C2CC2)cc1Cc1nccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C22H24N6O3/c1-4-18(29)16-11-24-19(26-22(30)13-5-6-13)10-14(16)9-17-20(31-3)15(7-8-23-17)21-25-12-28(2)27-21/h7-8,10-13H,4-6,9H2,1-3H3,(H,24,26,30)
InChIKeyOWVZIGPGFUVPOV-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.81
Rot. Bonds8

About N-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methyl]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide

N-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methyl]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 170128649) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methyl]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methyl]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
PubChem CID170128649
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC NameN-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methyl]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
SMILESCCC(=O)c1cnc(NC(=O)C2CC2)cc1Cc1nccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C22H24N6O3/c1-4-18(29)16-11-24-19(26-22(30)13-5-6-13)10-14(16)9-17-20(31-3)15(7-8-23-17)21-25-12-28(2)27-21/h7-8,10-13H,4-6,9H2,1-3H3,(H,24,26,30)
InChIKeyOWVZIGPGFUVPOV-UHFFFAOYSA-N
XLogP2.81
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methyl]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methyl]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide (CID 170128649) is N-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methyl]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methyl]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methyl]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide is CCC(=O)c1cnc(NC(=O)C2CC2)cc1Cc1nccc(-c2ncn(C)n2)c1OC.
What is the InChIKey of N-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methyl]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is OWVZIGPGFUVPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-4-18(29)16-11-24-19(26-22(30)13-5-6-13)10-14(16)9-17-20(31-3)15(7-8-23-17)21-25-12-28(2)27-21/h7-8,10-13H,4-6,9H2,1-3H3,(H,24,26,30).
What are the key properties of N-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methyl]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methyl]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methyl]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 170128649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).