3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide

C22H23N3O3 — CID 113034569

IUPAC3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3ccc(OC(C)C)cc3)cn2)c1
InChIInChI=1S/C22H23N3O3/c1-15(2)28-19-10-7-17(8-11-19)24-18-9-12-21(23-14-18)25-22(26)16-5-4-6-20(13-16)27-3/h4-15,24H,1-3H3,(H,23,25,26)
InChIKeyMFYBDCMPKCYWBZ-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.87
Rot. Bonds7

About 3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide

3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide (PubChem CID 113034569) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide
PubChem CID113034569
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3ccc(OC(C)C)cc3)cn2)c1
InChIInChI=1S/C22H23N3O3/c1-15(2)28-19-10-7-17(8-11-19)24-18-9-12-21(23-14-18)25-22(26)16-5-4-6-20(13-16)27-3/h4-15,24H,1-3H3,(H,23,25,26)
InChIKeyMFYBDCMPKCYWBZ-UHFFFAOYSA-N
XLogP4.87
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
3-methoxy-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034507
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113034694
3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017819
N-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-methoxybenzamide
CID 113035591
3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034080
N-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034083
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide
CID 82022486
3-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
CID 113037429
N-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113036762
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide
CID 1452890
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113033566

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide?
The IUPAC name of 3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide (CID 113034569) is 3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide?
The canonical SMILES for 3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide is COc1cccc(C(=O)Nc2ccc(Nc3ccc(OC(C)C)cc3)cn2)c1.
What is the InChIKey of 3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide?
The InChIKey is MFYBDCMPKCYWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15(2)28-19-10-7-17(8-11-19)24-18-9-12-21(23-14-18)25-22(26)16-5-4-6-20(13-16)27-3/h4-15,24H,1-3H3,(H,23,25,26).
What are the key properties of 3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide?
3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113034569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).