2-N-cyclopropyl-4-N-[5-(2-propoxyphenyl)-3-pyridinyl]pyridine-2,4-dicarboxamide

C24H24N4O3 — CID 141452889

IUPAC2-N-cyclopropyl-4-N-[5-(2-propoxyphenyl)-3-pyridinyl]pyridine-2,4-dicarboxamide
SMILESCCCOc1ccccc1-c1cncc(NC(=O)c2ccnc(C(=O)NC3CC3)c2)c1
InChIInChI=1S/C24H24N4O3/c1-2-11-31-22-6-4-3-5-20(22)17-12-19(15-25-14-17)28-23(29)16-9-10-26-21(13-16)24(30)27-18-7-8-18/h3-6,9-10,12-15,18H,2,7-8,11H2,1H3,(H,27,30)(H,28,29)
InChIKeyBDLXVLSMEMLZEE-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.08
Rot. Bonds8

About 2-N-cyclopropyl-4-N-[5-(2-propoxyphenyl)-3-pyridinyl]pyridine-2,4-dicarboxamide

2-N-cyclopropyl-4-N-[5-(2-propoxyphenyl)-3-pyridinyl]pyridine-2,4-dicarboxamide (PubChem CID 141452889) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-N-[5-(2-propoxyphenyl)-3-pyridinyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclopropyl-4-N-[5-(2-propoxyphenyl)-3-pyridinyl]pyridine-2,4-dicarboxamide
PubChem CID141452889
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name2-N-cyclopropyl-4-N-[5-(2-propoxyphenyl)-3-pyridinyl]pyridine-2,4-dicarboxamide
SMILESCCCOc1ccccc1-c1cncc(NC(=O)c2ccnc(C(=O)NC3CC3)c2)c1
InChIInChI=1S/C24H24N4O3/c1-2-11-31-22-6-4-3-5-20(22)17-12-19(15-25-14-17)28-23(29)16-9-10-26-21(13-16)24(30)27-18-7-8-18/h3-6,9-10,12-15,18H,2,7-8,11H2,1H3,(H,27,30)(H,28,29)
InChIKeyBDLXVLSMEMLZEE-UHFFFAOYSA-N
XLogP4.08
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-cyclopropyl-4-N-[5-[2-[(dimethylamino)methyl]phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide
CID 141452937
4-N-[5-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 141452915
4-N-(5-benzyl-3-pyridinyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 141452931
2-N-cyclopropyl-4-N-[5-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide
CID 141452929
4-N-(5-cyclobutyl-3-pyridinyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 141453014
2-N-cyclopropyl-4-N-[6-(2-fluorophenyl)pyrazin-2-yl]pyridine-2,4-dicarboxamide
CID 141452902
2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109081613
2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109078607
2-N-cyclopropyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109078757
4-N-cyclopentyl-2-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109080804
4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080981
4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078718

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-N-[5-(2-propoxyphenyl)-3-pyridinyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-cyclopropyl-4-N-[5-(2-propoxyphenyl)-3-pyridinyl]pyridine-2,4-dicarboxamide (CID 141452889) is 2-N-cyclopropyl-4-N-[5-(2-propoxyphenyl)-3-pyridinyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-cyclopropyl-4-N-[5-(2-propoxyphenyl)-3-pyridinyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-cyclopropyl-4-N-[5-(2-propoxyphenyl)-3-pyridinyl]pyridine-2,4-dicarboxamide is CCCOc1ccccc1-c1cncc(NC(=O)c2ccnc(C(=O)NC3CC3)c2)c1.
What is the InChIKey of 2-N-cyclopropyl-4-N-[5-(2-propoxyphenyl)-3-pyridinyl]pyridine-2,4-dicarboxamide?
The InChIKey is BDLXVLSMEMLZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-2-11-31-22-6-4-3-5-20(22)17-12-19(15-25-14-17)28-23(29)16-9-10-26-21(13-16)24(30)27-18-7-8-18/h3-6,9-10,12-15,18H,2,7-8,11H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 2-N-cyclopropyl-4-N-[5-(2-propoxyphenyl)-3-pyridinyl]pyridine-2,4-dicarboxamide?
2-N-cyclopropyl-4-N-[5-(2-propoxyphenyl)-3-pyridinyl]pyridine-2,4-dicarboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-N-[5-(2-propoxyphenyl)-3-pyridinyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 141452889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).