N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide

C20H17ClN4O2 — CID 70978019

IUPACN-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc(OC3CC3)ccc2Cl)cn1
InChIInChI=1S/C20H17ClN4O2/c1-12-6-7-22-9-16(12)20(26)25-19-11-23-18(10-24-19)15-8-14(4-5-17(15)21)27-13-2-3-13/h4-11,13H,2-3H2,1H3,(H,24,25,26)
InChIKeyFAVCYJHGNOQIBK-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.29
Rot. Bonds5

About N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide

N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide (PubChem CID 70978019) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide
PubChem CID70978019
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC NameN-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc(OC3CC3)ccc2Cl)cn1
InChIInChI=1S/C20H17ClN4O2/c1-12-6-7-22-9-16(12)20(26)25-19-11-23-18(10-24-19)15-8-14(4-5-17(15)21)27-13-2-3-13/h4-11,13H,2-3H2,1H3,(H,24,25,26)
InChIKeyFAVCYJHGNOQIBK-UHFFFAOYSA-N
XLogP4.29
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide (CID 70978019) is N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide is Cc1ccncc1C(=O)Nc1cnc(-c2cc(OC3CC3)ccc2Cl)cn1.
What is the InChIKey of N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The InChIKey is FAVCYJHGNOQIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-12-6-7-22-9-16(12)20(26)25-19-11-23-18(10-24-19)15-8-14(4-5-17(15)21)27-13-2-3-13/h4-11,13H,2-3H2,1H3,(H,24,25,26).
What are the key properties of N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70978019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).