N-[5-(5-cyclopropyloxy-2-methylphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide

C22H21N3O2 — CID 70978378

IUPACN-[5-(5-cyclopropyloxy-2-methylphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1ccc(-c2cc(OC3CC3)ccc2C)cn1
InChIInChI=1S/C22H21N3O2/c1-14-3-5-18(27-17-6-7-17)11-19(14)16-4-8-21(24-12-16)25-22(26)20-13-23-10-9-15(20)2/h3-5,8-13,17H,6-7H2,1-2H3,(H,24,25,26)
InChIKeyDISORLVZTDIFLR-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.55
Rot. Bonds5

About N-[5-(5-cyclopropyloxy-2-methylphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide

N-[5-(5-cyclopropyloxy-2-methylphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide (PubChem CID 70978378) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[5-(5-cyclopropyloxy-2-methylphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(5-cyclopropyloxy-2-methylphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide
PubChem CID70978378
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[5-(5-cyclopropyloxy-2-methylphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1ccc(-c2cc(OC3CC3)ccc2C)cn1
InChIInChI=1S/C22H21N3O2/c1-14-3-5-18(27-17-6-7-17)11-19(14)16-4-8-21(24-12-16)25-22(26)20-13-23-10-9-15(20)2/h3-5,8-13,17H,6-7H2,1-2H3,(H,24,25,26)
InChIKeyDISORLVZTDIFLR-UHFFFAOYSA-N
XLogP4.55
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-cyclopropyloxy-2-methylphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-(5-cyclopropyloxy-2-methylphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide (CID 70978378) is N-[5-(5-cyclopropyloxy-2-methylphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-(5-cyclopropyloxy-2-methylphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-(5-cyclopropyloxy-2-methylphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide is Cc1ccncc1C(=O)Nc1ccc(-c2cc(OC3CC3)ccc2C)cn1.
What is the InChIKey of N-[5-(5-cyclopropyloxy-2-methylphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The InChIKey is DISORLVZTDIFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-14-3-5-18(27-17-6-7-17)11-19(14)16-4-8-21(24-12-16)25-22(26)20-13-23-10-9-15(20)2/h3-5,8-13,17H,6-7H2,1-2H3,(H,24,25,26).
What are the key properties of N-[5-(5-cyclopropyloxy-2-methylphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide?
N-[5-(5-cyclopropyloxy-2-methylphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-cyclopropyloxy-2-methylphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70978378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).