N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-phenylcyclopropane-1-carboxamide

C23H23N5O2 — CID 76534175

IUPACN-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCCn1cc(OCC2(c3ccccc3)CC2C(=O)Nc2ccc(C#N)cn2)c(C)n1
InChIInChI=1S/C23H23N5O2/c1-3-28-14-20(16(2)27-28)30-15-23(18-7-5-4-6-8-18)11-19(23)22(29)26-21-10-9-17(12-24)13-25-21/h4-10,13-14,19H,3,11,15H2,1-2H3,(H,25,26,29)
InChIKeyRLGBIGRTEBAQHQ-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.45
Rot. Bonds7

About N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-phenylcyclopropane-1-carboxamide

N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 76534175) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID76534175
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCCn1cc(OCC2(c3ccccc3)CC2C(=O)Nc2ccc(C#N)cn2)c(C)n1
InChIInChI=1S/C23H23N5O2/c1-3-28-14-20(16(2)27-28)30-15-23(18-7-5-4-6-8-18)11-19(23)22(29)26-21-10-9-17(12-24)13-25-21/h4-10,13-14,19H,3,11,15H2,1-2H3,(H,25,26,29)
InChIKeyRLGBIGRTEBAQHQ-UHFFFAOYSA-N
XLogP3.45
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-phenylcyclopropane-1-carboxamide (CID 76534175) is N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-phenylcyclopropane-1-carboxamide is CCn1cc(OCC2(c3ccccc3)CC2C(=O)Nc2ccc(C#N)cn2)c(C)n1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is RLGBIGRTEBAQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-3-28-14-20(16(2)27-28)30-15-23(18-7-5-4-6-8-18)11-19(23)22(29)26-21-10-9-17(12-24)13-25-21/h4-10,13-14,19H,3,11,15H2,1-2H3,(H,25,26,29).
What are the key properties of N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-phenylcyclopropane-1-carboxamide?
N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 76534175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).