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

C21H20N4O2 — CID 71010106

IUPACN-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1ccc(-c2cc(OC3CC3)ncc2C)cn1
InChIInChI=1S/C21H20N4O2/c1-13-7-8-22-12-18(13)21(26)25-19-6-3-15(11-23-19)17-9-20(24-10-14(17)2)27-16-4-5-16/h3,6-12,16H,4-5H2,1-2H3,(H,23,25,26)
InChIKeyVTYONLWKFMFCDE-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.95
Rot. Bonds5

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

N-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide (PubChem CID 71010106) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide
PubChem CID71010106
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1ccc(-c2cc(OC3CC3)ncc2C)cn1
InChIInChI=1S/C21H20N4O2/c1-13-7-8-22-12-18(13)21(26)25-19-6-3-15(11-23-19)17-9-20(24-10-14(17)2)27-16-4-5-16/h3,6-12,16H,4-5H2,1-2H3,(H,23,25,26)
InChIKeyVTYONLWKFMFCDE-UHFFFAOYSA-N
XLogP3.95
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide (CID 71010106) is N-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide is Cc1ccncc1C(=O)Nc1ccc(-c2cc(OC3CC3)ncc2C)cn1.
What is the InChIKey of N-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The InChIKey is VTYONLWKFMFCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-7-8-22-12-18(13)21(26)25-19-6-3-15(11-23-19)17-9-20(24-10-14(17)2)27-16-4-5-16/h3,6-12,16H,4-5H2,1-2H3,(H,23,25,26).
What are the key properties of N-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide?
N-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).