N-[5-(2-chloro-5-cyclopropyloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide

C21H17ClFN3O2 — CID 70978077

IUPACN-[5-(2-chloro-5-cyclopropyloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCc1c(F)cncc1C(=O)Nc1ccc(-c2cc(OC3CC3)ccc2Cl)cn1
InChIInChI=1S/C21H17ClFN3O2/c1-12-17(10-24-11-19(12)23)21(27)26-20-7-2-13(9-25-20)16-8-15(5-6-18(16)22)28-14-3-4-14/h2,5-11,14H,3-4H2,1H3,(H,25,26,27)
InChIKeyZHGMZQXZAVSBPD-UHFFFAOYSA-N
MW397.84 g/mol
LogP5.04
Rot. Bonds5

About N-[5-(2-chloro-5-cyclopropyloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide

N-[5-(2-chloro-5-cyclopropyloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide (PubChem CID 70978077) has the molecular formula C21H17ClFN3O2 and a molecular weight of 397.84 g/mol. Its IUPAC name is N-[5-(2-chloro-5-cyclopropyloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-chloro-5-cyclopropyloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
PubChem CID70978077
Molecular FormulaC21H17ClFN3O2
Molecular Weight397.84 g/mol
Exact Mass397.10
IUPAC NameN-[5-(2-chloro-5-cyclopropyloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCc1c(F)cncc1C(=O)Nc1ccc(-c2cc(OC3CC3)ccc2Cl)cn1
InChIInChI=1S/C21H17ClFN3O2/c1-12-17(10-24-11-19(12)23)21(27)26-20-7-2-13(9-25-20)16-8-15(5-6-18(16)22)28-14-3-4-14/h2,5-11,14H,3-4H2,1H3,(H,25,26,27)
InChIKeyZHGMZQXZAVSBPD-UHFFFAOYSA-N
XLogP5.04
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.84
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloro-5-cyclopropyloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-(2-chloro-5-cyclopropyloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide (CID 70978077) is N-[5-(2-chloro-5-cyclopropyloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-(2-chloro-5-cyclopropyloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-(2-chloro-5-cyclopropyloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide is Cc1c(F)cncc1C(=O)Nc1ccc(-c2cc(OC3CC3)ccc2Cl)cn1.
What is the InChIKey of N-[5-(2-chloro-5-cyclopropyloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The InChIKey is ZHGMZQXZAVSBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O2/c1-12-17(10-24-11-19(12)23)21(27)26-20-7-2-13(9-25-20)16-8-15(5-6-18(16)22)28-14-3-4-14/h2,5-11,14H,3-4H2,1H3,(H,25,26,27).
What are the key properties of N-[5-(2-chloro-5-cyclopropyloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
N-[5-(2-chloro-5-cyclopropyloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide has a molecular weight of 397.84 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloro-5-cyclopropyloxyphenyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70978077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).