N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]pyridine-2-carboxamide

C20H23N3O4 — CID 646547

IUPACN-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]pyridine-2-carboxamide
SMILESCCOc1cc(NC(=O)C2CC2)c(OCC)cc1NC(=O)c1ccccn1
InChIInChI=1S/C20H23N3O4/c1-3-26-17-12-16(23-20(25)14-7-5-6-10-21-14)18(27-4-2)11-15(17)22-19(24)13-8-9-13/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySVOBXEZSSBSDSJ-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.48
Rot. Bonds8

About N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]pyridine-2-carboxamide

N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]pyridine-2-carboxamide (PubChem CID 646547) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]pyridine-2-carboxamide
PubChem CID646547
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]pyridine-2-carboxamide
SMILESCCOc1cc(NC(=O)C2CC2)c(OCC)cc1NC(=O)c1ccccn1
InChIInChI=1S/C20H23N3O4/c1-3-26-17-12-16(23-20(25)14-7-5-6-10-21-14)18(27-4-2)11-15(17)22-19(24)13-8-9-13/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySVOBXEZSSBSDSJ-UHFFFAOYSA-N
XLogP3.48
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]pyridine-2-carboxamide (CID 646547) is N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]pyridine-2-carboxamide is CCOc1cc(NC(=O)C2CC2)c(OCC)cc1NC(=O)c1ccccn1.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]pyridine-2-carboxamide?
The InChIKey is SVOBXEZSSBSDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-3-26-17-12-16(23-20(25)14-7-5-6-10-21-14)18(27-4-2)11-15(17)22-19(24)13-8-9-13/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]pyridine-2-carboxamide?
N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]pyridine-2-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 646547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).